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
0.9950 -1.2357 -0.6149 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2794 -0.0262 -0.4756 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4678 0.3678 0.3022 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7531 1.6358 0.4396 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3488 -0.6433 0.9335 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4698 0.9127 -1.0563 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6857 0.6401 -1.8170 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7415 -0.1098 -1.0481 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1815 0.5765 0.0645 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3416 -0.2267 0.9258 S 0 0 0 0 0 6 0 0 0 0 0 0
-4.7188 -0.0673 0.3607 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3835 0.3561 2.3261 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0412 -1.8615 1.0860 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
2.1304 2.3789 -0.0079 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6109 1.9380 1.0003 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3973 -1.5843 0.3465 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9259 -0.8563 1.9438 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3696 -0.2410 1.0795 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1348 1.6496 -2.0529 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4667 0.1676 -2.7953 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3323 -1.0824 -0.7245 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5567 -0.3404 -1.7678 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1635 -2.3484 0.2308 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