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
-1.0152 1.1636 0.8812 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4401 0.0242 0.1987 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8151 0.1704 -0.1435 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4223 -0.9569 -0.7171 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5774 1.4098 -0.1006 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4797 -0.8719 0.0330 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7750 -0.5871 0.5037 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9332 -1.2704 -0.1699 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0476 -0.7835 0.5904 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0938 0.0316 -0.5018 S 0 0 0 0 0 6 0 0 0 0 0 0
5.1184 -0.7258 -1.1735 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7393 1.1239 0.3888 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0650 0.8727 -1.6040 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
-2.8596 -1.8162 -0.8475 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4577 -0.8625 -1.0234 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5156 1.4090 -0.7147 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9481 2.3125 -0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8738 1.5566 0.9764 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8214 -0.9201 1.6497 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9988 0.5115 0.4357 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9876 -1.2242 -1.2157 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8830 -2.3811 0.1534 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9414 1.8137 -1.2481 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