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
-0.9875 0.8379 -0.9249 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4675 -0.1046 -0.2443 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8089 -0.0229 0.3121 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3442 -0.9873 1.0281 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6169 1.1981 0.0667 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6570 -1.2137 -0.0555 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6426 -1.3605 -0.5608 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6030 -0.2989 -0.0649 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8397 -0.5690 -0.6425 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0177 0.5145 -0.1968 S 0 0 0 0 0 6 0 0 0 0 0 0
5.2970 -0.2716 0.0463 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3361 1.5123 -1.2732 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6640 1.3207 1.2267 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
-2.7916 -1.9008 1.2348 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3353 -0.9301 1.4408 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2095 1.9992 0.7188 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4583 1.4714 -1.0124 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6961 1.0439 0.2706 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6778 -1.3192 -1.6739 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0087 -2.3598 -0.2798 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7014 -0.4584 1.0369 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2464 0.7139 -0.2605 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3384 1.1849 1.9281 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