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
-0.8687 -1.3478 -0.8306 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2993 -0.5610 0.0507 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5526 0.1461 -0.1316 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2423 -0.0420 -1.2336 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0716 1.0734 0.8941 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5090 -0.4190 1.1858 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7013 -1.0901 1.3821 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7400 -0.7897 0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0149 0.5701 0.3464 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1577 1.0127 -0.7764 S 0 0 0 0 0 6 0 0 0 0 0 0
2.5891 2.1881 -1.5546 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4312 1.4942 -0.1489 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4330 -0.2580 -1.8332 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
-4.1920 0.4723 -1.4089 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9292 -0.7048 -2.0320 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1310 0.8822 1.1488 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4184 1.0015 1.7975 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0307 2.1371 0.5501 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1196 -0.7155 2.3595 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6134 -2.1706 1.4841 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6742 -1.3164 0.6547 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4817 -1.1751 -0.6556 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2887 -0.6647 -1.5876 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