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
-0.8240 1.2122 0.5157 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4157 0.2771 -0.0791 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7540 -0.1579 0.3205 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3850 -1.1396 -0.2979 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4686 0.4917 1.4500 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7306 -0.3148 -1.1298 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5385 0.0408 -1.5680 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6198 -0.0926 -0.5423 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8237 0.3083 -1.1617 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1244 0.2137 -0.1390 S 0 0 0 0 0 6 0 0 0 0 0 0
4.5203 1.5787 0.4010 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3049 -0.4142 -0.8308 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7408 -0.7434 1.1775 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
-4.3672 -1.4891 -0.0359 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8762 -1.6179 -1.1184 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4878 -0.1990 2.3145 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0466 1.4830 1.7039 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5528 0.6630 1.1858 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5230 1.0981 -1.9156 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8006 -0.5740 -2.4363 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7289 -1.0912 -0.1237 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4619 0.6463 0.2791 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7218 -0.2235 2.0303 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