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
-0.9160 1.3472 0.3018 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4661 0.1940 0.2098 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7460 0.0381 -0.4457 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3628 1.0681 -0.9546 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3741 -1.2868 -0.5492 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7513 -0.8408 0.7718 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4983 -0.7299 1.4172 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5746 -0.1984 0.5031 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7805 -0.1145 1.2004 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0190 0.4657 0.2545 S 0 0 0 0 0 6 0 0 0 0 0 0
4.5332 1.7315 0.9203 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1825 -0.4785 0.1724 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5250 0.8769 -1.2884 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
-2.9100 2.0435 -0.8835 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3166 1.0342 -1.4575 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3971 -1.7099 0.4975 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6825 -1.9498 -1.1058 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3588 -1.2879 -1.0105 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7664 -1.7175 1.8402 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3467 0.0027 2.2637 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3272 0.8035 0.1105 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6340 -0.8769 -0.3704 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0940 1.5852 -1.6837 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