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
-1.8926 -2.0183 0.2583 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6773 -0.7997 0.3664 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7944 0.1384 0.3655 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6081 1.4483 0.4787 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1606 -0.4268 0.2323 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3588 -0.3736 0.4857 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6659 -1.3475 0.4778 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0320 -0.7179 0.6160 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2988 0.1704 -0.4262 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8086 0.8637 -0.2700 S 0 0 0 0 0 6 0 0 0 0 0 0
4.6500 0.5556 -1.4808 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4950 0.3674 0.9882 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6702 2.5464 -0.0741 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
-1.6450 1.9022 0.5768 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4790 2.0841 0.4706 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3345 -0.6635 -0.8469 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9438 0.2810 0.5371 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2514 -1.3648 0.8451 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5160 -1.9854 1.3846 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5910 -2.0002 -0.4027 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0729 -0.1617 1.5729 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8229 -1.4902 0.5785 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5222 2.9918 -0.2327 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