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
0.8108 -1.0866 0.9572 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4075 -0.3472 0.1362 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7416 0.1750 0.4548 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3907 0.9460 -0.3748 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3560 -0.1845 1.7445 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7809 -0.0460 -1.0541 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4981 -0.5316 -1.3830 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5722 -0.0871 -0.4254 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7661 -0.6436 -0.8850 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0669 -0.2194 0.1093 S 0 0 0 0 0 6 0 0 0 0 0 0
-3.7970 -0.6356 1.5384 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2635 -0.9637 -0.4242 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4029 1.4156 0.0022 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
4.3674 1.3140 -0.1144 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9415 1.2103 -1.3208 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0854 0.5708 2.0984 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8524 -1.1804 1.5949 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5414 -0.3604 2.4695 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7784 -0.1404 -2.3933 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5044 -1.6533 -1.4621 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3927 -0.5283 0.5726 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6267 0.9988 -0.3094 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6068 1.9777 -0.0911 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