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
-1.8689 1.8525 -0.3440 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6771 0.6250 -0.0782 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8272 -0.2491 0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6701 -1.5399 0.2878 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2030 0.2602 -0.1985 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3833 0.1574 0.1172 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6672 1.1023 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0176 0.4970 0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2968 -0.5180 -0.6887 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8189 -1.1596 -0.3874 S 0 0 0 0 0 6 0 0 0 0 0 0
4.1752 -2.1645 -1.4239 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8146 -1.7880 0.9671 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9702 0.0760 -0.3907 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
-3.5109 -2.2127 0.3605 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6767 -1.9358 0.4454 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3697 1.0792 0.5292 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9458 -0.5302 -0.0997 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2184 0.7130 -1.2302 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4924 1.8501 0.8121 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5813 1.5478 -1.0025 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7700 1.2964 0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1123 0.1619 1.2802 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6346 0.8788 -0.8686 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