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
0.7870 0.8085 1.3302 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3178 0.4366 0.2556 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5883 -0.3059 0.2354 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1509 -0.6988 -0.8812 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2482 -0.6170 1.5116 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6378 0.7662 -0.9053 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5648 1.4682 -0.8774 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6872 0.8020 -0.1416 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0106 -0.4428 -0.6947 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2597 -1.1309 0.1630 S 0 0 0 0 0 6 0 0 0 0 0 0
-4.2799 -1.7108 -0.8008 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7773 -2.2091 1.0933 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9822 0.0521 1.1250 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
4.0833 -1.2418 -0.8635 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7120 -0.4992 -1.8549 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5136 -0.6719 2.3444 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0670 0.0915 1.7657 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6688 -1.6604 1.4071 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4664 2.5072 -0.5021 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8855 1.5911 -1.9554 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5909 1.4608 -0.2804 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4987 0.7492 0.9288 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7717 0.4552 0.6836 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