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
-0.6882 1.2270 0.9008 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2686 0.1824 0.4676 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4381 0.4061 -0.3676 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8366 1.6186 -0.6337 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1650 -0.7560 -0.9079 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8106 -1.0795 0.7755 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3111 -1.2895 1.5671 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6153 -0.8064 1.0609 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7415 0.5271 0.8205 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2351 0.9693 0.2573 S 0 0 0 0 0 6 0 0 0 0 0 0
3.3810 2.4738 0.3015 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3556 0.3950 1.0693 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4255 0.4348 -1.3439 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
-2.3566 2.5193 -0.2747 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7167 1.7903 -1.2621 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7523 -0.4204 -1.7971 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8623 -1.1027 -0.0995 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4916 -1.5742 -1.2347 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1899 -0.8910 2.6058 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3997 -2.4177 1.6777 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9520 -1.3762 0.1626 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3992 -1.0688 1.8357 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3807 0.2387 -1.4955 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