Monomers
2-Methylprop-2-enoate;triphenylstannanylium
Identifiers
IUPAC name
2-methylprop-2-enoate;triphenylstannanylium
InchI
InChI=1S/3C6H5.C4H6O2.Sn/c3*1-2-4-6-5-3-1;1-3(2)4(5)6;/h3*1-5H;1H2,2H3,(H,5,6);/q;;;;+1/p-1
InchI Key
JNRFAGAIHOKUES-UHFFFAOYSA-M
SMILES
c1ccc(cc1)[Sn+](c1ccccc1)c1ccccc1.CC(=C)C(=O)[O-]
Canonical SMILES
CC(=C)C(=O)[O-].C1=CC=C(C=C1)[Sn+](C2=CC=CC=C2)C3=CC=CC=C3
Isomeric SMILES
CC(=C)C(=O)[O-].C1=CC=C(C=C1)[Sn+](C2=CC=CC=C2)C3=CC=CC=C3
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C22H20O2Sn
Heavy Atom Count
25
Molecular Weight
435.111
Exact Molecular Weight
436.0485
Valence Electrons
124
Radical Electrons
0
tPSA
40.13
MolLogP
1.5152
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
3
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
3
MOL File
RDKit 3D
45 46 0 0 0 0 0 0 0 0999 V2000
-0.7117 4.7893 0.3797 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3599 4.3907 -0.8940 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1387 3.0372 -1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2612 2.0780 -0.1885 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6148 2.5032 1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8346 3.8354 1.3528 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0678 0.0143 -0.5630 Sn 0 0 0 0 0 3 0 0 0 0 0 0
1.9587 -0.7742 0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1067 0.0073 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3501 -0.4480 0.2635 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4291 -1.7417 0.7492 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3189 -2.5452 0.8728 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0929 -2.0594 0.5068 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6009 -1.2936 -0.5457 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4915 -2.6057 -0.9748 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5626 -3.4765 -0.9733 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8108 -3.0317 -0.5247 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9316 -1.7334 -0.0969 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8443 -0.8794 -0.1077 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1496 -0.7059 0.0614 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0860 0.1169 -0.0325 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0058 1.4049 -0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3612 -0.5150 0.1704 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4701 -1.7361 0.4240 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5474 0.2286 0.0896 O 0 0 0 0 0 1 0 0 0 0 0 0
-0.8952 5.8190 0.6471 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2537 5.1181 -1.6876 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1351 2.7168 -2.1486 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7083 1.7479 1.8346 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1103 4.0697 2.3886 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9932 1.0175 -0.4812 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2082 0.2021 0.1573 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3864 -2.1432 1.0431 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3622 -3.5645 1.2526 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1730 -2.6450 0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5368 -3.0004 -1.3347 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4331 -4.5064 -1.3211 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6458 -3.6925 -0.5179 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8683 -1.3363 0.2591 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9681 0.1307 0.2326 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0580 -0.0780 0.2251 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0338 -1.2994 1.0112 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2057 -1.3372 -0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9288 1.9188 -0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9054 2.0022 -0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
4 7 1 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
7 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
18 19 2 0
20 21 1 0
21 22 2 3
21 23 1 0
23 24 2 0
23 25 1 0
6 1 1 0
13 8 1 0
19 14 1 0
1 26 1 0
2 27 1 0
3 28 1 0
5 29 1 0
6 30 1 0
9 31 1 0
10 32 1 0
11 33 1 0
12 34 1 0
13 35 1 0
15 36 1 0
16 37 1 0
17 38 1 0
18 39 1 0
19 40 1 0
20 41 1 0
20 42 1 0
20 43 1 0
22 44 1 0
22 45 1 0
M CHG 2 7 1 25 -1
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers