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
-1.8053 -2.2016 -0.0011 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8061 -0.9438 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0683 -0.1958 0.0975 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2106 -0.8691 0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0720 1.2694 0.1164 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6098 -0.2701 -0.0457 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6482 -0.9375 -0.1269 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7057 0.1265 -0.1745 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9907 -0.4083 -0.2557 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1698 0.7534 -0.3090 S 0 0 0 0 0 6 0 0 0 0 0 0
3.7863 2.0433 0.3150 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6523 1.0393 -1.7037 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5141 0.1624 0.5461 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
-4.2460 -1.9494 0.1433 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1451 -0.3522 0.2157 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8955 1.5928 0.8119 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3667 1.7020 -0.8822 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0843 1.6562 0.4352 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6137 -1.5577 -1.0416 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8076 -1.5949 0.7489 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4967 0.8656 -0.9605 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6608 0.6756 0.7951 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2639 -0.6063 1.1057 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