Monomers
CID 87705635
Identifiers
IUPAC name
None
InchI
InChI=1S/C6H10O6S.Na/c1-5(2)6(7)11-3-4-12-13(8,9)10;/h1,3-4H2,2H3,(H,8,9,10);
InchI Key
BUJXOJKSMCPEEB-UHFFFAOYSA-N
SMILES
O=C(C(=C)C)OCCOS(=O)(=O)O.[Na]
Canonical SMILES
CC(=C)C(=O)OCCOS(=O)(=O)O.[Na]
Isomeric SMILES
CC(=C)C(=O)OCCOS(=O)(=O)O.[Na]
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H10NaO6S
Heavy Atom Count
14
Molecular Weight
233.197
Exact Molecular Weight
233.0096
Valence Electrons
77
Radical Electrons
1
tPSA
89.9
MolLogP
-0.4557
H Bond Acceptors
5
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
24 22 0 0 0 0 0 0 0 0999 V2000
1.3711 -1.2516 -1.0883 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5662 -0.1758 -0.3964 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8160 0.2064 0.1462 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9920 1.3153 0.8382 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9549 -0.7020 -0.0185 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4843 0.6876 -0.1909 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7476 0.5338 -0.6392 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5392 -0.7334 -0.2094 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7708 -0.5213 -0.9305 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0891 -0.4996 0.0465 S 0 0 0 0 0 6 0 0 0 0 0 0
-3.9818 -1.1832 1.3442 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3729 -0.7638 -0.6874 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2821 1.2218 0.4798 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 Na 0 0 0 0 0 15 0 0 0 0 0 0
3.9577 1.5515 1.2287 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2003 2.0396 0.9816 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6233 -1.5929 0.6705 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9307 -1.1303 -1.0745 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8967 -0.3487 0.3112 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4368 1.3034 -0.0223 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9857 0.7933 -1.6955 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6257 -0.8022 0.8346 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0756 -1.6329 -0.6641 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8859 1.6849 -0.3891 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 3
3 5 1 0
2 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 2 0
10 12 2 0
10 13 1 0
4 15 1 0
4 16 1 0
5 17 1 0
5 18 1 0
5 19 1 0
7 20 1 0
7 21 1 0
8 22 1 0
8 23 1 0
13 24 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers