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
-2.2782 -1.5092 -1.1779 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6502 -0.7371 -0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4099 0.3302 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8976 1.2044 1.0954 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8884 0.5118 -0.1407 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3804 -0.9452 -0.1820 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6749 -1.6918 -0.4976 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7610 -0.6509 -1.1775 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8131 0.3270 -0.2125 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1428 0.4907 0.7088 S 0 0 0 0 0 6 0 0 0 0 0 0
2.5458 0.6540 2.1796 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0314 -0.7339 0.8002 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9822 1.9008 0.3767 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
-0.9268 1.2823 1.4571 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6375 1.9589 1.4072 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0582 -0.0026 -1.0846 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9447 1.6401 -0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4963 0.2327 0.7171 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3018 -1.9273 0.4224 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6705 -2.4961 -1.2008 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1040 -0.2537 -2.0078 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5750 -1.2585 -1.4024 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9658 1.6737 0.2812 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