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
-1.1490 -0.7135 1.1830 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5012 0.0912 0.2869 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7264 -0.1398 -0.4609 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0750 0.7189 -1.3966 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5451 -1.3347 -0.1469 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7163 1.1750 0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4885 1.5190 0.6723 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4962 0.4392 0.4362 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 0.7245 1.0464 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7807 -0.5239 0.7354 S 0 0 0 0 0 6 0 0 0 0 0 0
2.9737 -1.7605 0.4713 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6655 -0.6920 1.9164 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6743 -0.2039 -0.6633 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
-2.4605 1.5664 -1.5937 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0015 0.5231 -1.9455 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6246 -1.1704 -0.3456 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3583 -1.6289 0.8874 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2321 -2.1565 -0.8251 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2650 1.6160 1.7523 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8507 2.5114 0.2874 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0869 -0.5255 0.7537 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7390 0.3167 -0.6557 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6503 -0.3518 -0.5057 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