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
-1.8052 1.7973 -0.2116 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8187 0.5830 0.0781 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0359 -0.1671 0.3325 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0230 -1.4482 0.6364 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3484 0.5159 0.2522 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5845 -0.0587 0.1536 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6164 0.6870 -0.0988 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7970 -0.2675 0.0546 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9420 0.4822 -0.1952 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3379 -0.4171 -0.0682 S 0 0 0 0 0 6 0 0 0 0 0 0
4.1556 -1.5972 0.8760 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8322 -0.8818 -1.4116 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5366 0.5552 0.5951 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
-2.0706 -1.9510 0.6964 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9123 -2.0243 0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2301 1.3702 -0.4618 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6736 0.8997 1.2431 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0763 -0.2202 -0.1522 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6364 1.5011 0.6316 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5831 1.1160 -1.1117 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6526 -1.0905 -0.6703 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7817 -0.7039 1.0646 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7071 1.3198 0.0018 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