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
-1.1327 1.0436 0.1820 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4928 -0.0633 -0.2822 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8494 -0.5166 -0.0405 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6549 0.2570 0.6613 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3474 -1.8213 -0.5613 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5596 -0.7841 -1.0014 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7580 -0.4012 -1.2664 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5665 -0.1980 -0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8744 0.1827 -0.2901 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7756 0.4095 1.0980 S 0 0 0 0 0 6 0 0 0 0 0 0
3.4258 -0.6876 2.0615 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4428 1.7335 1.7306 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4119 0.4160 0.7356 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
-3.3688 1.2111 1.0701 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6609 -0.0808 0.8397 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4354 -1.7182 -0.7287 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1874 -2.6473 0.1421 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8572 -2.0044 -1.5384 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8245 0.5515 -1.8438 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2030 -1.1778 -1.9227 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6432 -1.2131 0.4772 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0577 0.4427 0.7141 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5632 0.5104 -0.2315 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