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
-0.7657 -1.1838 -0.6486 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3568 -0.0956 -0.4883 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7459 -0.0702 -0.0847 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3528 1.0792 0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4463 -1.3621 0.1326 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6859 1.0804 -0.6959 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6547 1.1332 -1.0811 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5200 0.5175 -0.0359 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8802 0.5524 -0.3853 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7264 -0.1644 0.8647 S 0 0 0 0 0 6 0 0 0 0 0 0
2.8332 -0.4340 2.0631 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8395 0.7492 1.3519 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4468 -1.6026 0.4191 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
-2.8228 1.9904 -0.0841 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3911 1.1751 0.3805 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7536 -2.0261 0.6794 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4145 -1.2182 0.6577 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6675 -1.8335 -0.8634 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8330 0.7223 -2.0984 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9228 2.2155 -1.1387 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2431 -0.5255 0.1886 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3510 1.0987 0.9127 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1523 -1.7980 1.1054 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