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
-1.0680 -0.3023 -1.5135 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3150 -0.3839 -0.2958 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4462 0.3527 0.3038 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6925 0.2555 1.5880 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2876 1.1971 -0.5781 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5143 -1.1775 0.4987 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5913 -1.9230 0.0273 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6504 -1.0469 -0.6003 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1000 -0.1488 0.3531 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2792 0.8680 -0.2499 S 0 0 0 0 0 6 0 0 0 0 0 0
2.5842 1.9729 -1.0089 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2250 0.1666 -1.1781 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1913 1.5493 0.9849 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
-2.0708 -0.3602 2.2030 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5110 0.7881 2.0243 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2447 1.4511 -0.0488 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5916 0.6809 -1.5077 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8041 2.1815 -0.7947 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0569 -2.3933 0.9269 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2273 -2.6728 -0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2508 -0.5895 -1.5063 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5178 -1.7361 -0.8189 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8717 1.2705 1.8818 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