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
-1.4940 1.6666 0.4620 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6084 0.5202 -0.1796 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9032 -0.0434 -0.1529 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1992 -1.2518 -0.6482 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0635 0.8157 0.2954 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4614 0.1221 -0.7399 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8101 0.4589 -0.8645 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6547 0.0402 0.3419 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9530 0.4770 0.0067 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0636 -0.6956 0.5211 S 0 0 0 0 0 6 0 0 0 0 0 0
4.3238 -0.8656 1.9352 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4269 -2.0817 -0.0014 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4782 -0.4888 -0.3523 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
-2.4195 -1.8152 -1.0930 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2083 -1.6315 -0.5937 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8381 1.9082 0.0906 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0655 0.6796 1.4210 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9850 0.5455 -0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0155 1.5338 -1.0667 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3039 -0.0736 -1.7508 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3023 0.8014 1.1290 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5696 -0.9659 0.7379 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3444 0.3440 -0.8837 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