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
-2.0888 -1.8145 -0.3881 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7351 -0.5915 -0.3329 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7613 0.4463 -0.1879 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4053 1.7068 -0.1304 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1851 0.0724 -0.1075 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3976 -0.3209 -0.4138 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5354 -1.3708 -0.5527 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9551 -0.8629 -0.6240 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3307 -0.1611 0.4955 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9371 0.3323 0.2518 S 0 0 0 0 0 6 0 0 0 0 0 0
4.1540 0.5124 -1.2154 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8915 -0.7116 0.7543 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2450 1.7757 1.0401 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
-1.3707 1.9847 -0.1884 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1528 2.4670 -0.0245 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6345 -0.1290 -1.1034 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7951 0.8873 0.3470 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3466 -0.8127 0.5665 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4631 -1.9737 0.3934 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3152 -2.0237 -1.4133 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0288 -0.2226 -1.5273 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6561 -1.7148 -0.7403 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3608 2.5249 0.3772 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