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
0.5893 0.2746 -1.0418 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0144 -0.5032 -0.1541 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3934 -0.3443 0.3333 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8237 -1.1596 1.2567 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2913 0.7080 -0.1956 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1701 -1.4605 0.3144 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1361 -1.7570 -0.0053 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0977 -0.6594 0.3377 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8026 0.4923 -0.3239 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8382 1.7513 0.0167 S 0 0 0 0 0 6 0 0 0 0 0 0
-3.0869 2.5523 -1.2300 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1423 1.2692 0.5943 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0660 2.7629 1.1185 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
3.8215 -1.0689 1.6311 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1889 -1.9231 1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8912 1.1966 -1.1078 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4191 1.5274 0.5506 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3028 0.3188 -0.4303 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4413 -2.6879 0.5422 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2809 -2.0222 -1.0841 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1561 -0.9951 0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0127 -0.5082 1.4589 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8449 2.2361 1.9271 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