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
-0.4789 -1.8315 -0.2489 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2048 -0.8298 -0.0181 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4284 -0.6154 -0.7539 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7886 -1.4739 -1.6737 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2881 0.5574 -0.4909 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7499 0.0330 0.9748 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4409 -0.1715 1.6941 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6593 -0.2120 0.8353 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8261 0.9981 0.1262 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1866 0.9586 -0.8355 S 0 0 0 0 0 6 0 0 0 0 0 0
3.9365 -0.3408 -0.6214 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7751 0.9924 -2.2831 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2010 2.2606 -0.4736 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
-2.1411 -2.3322 -1.8526 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7029 -1.3556 -2.2555 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9902 0.9837 0.4856 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3600 0.2882 -0.3977 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2253 1.3139 -1.3046 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5476 0.6865 2.3947 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4309 -1.0845 2.3190 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5428 -0.2931 1.5009 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6948 -1.0680 0.1459 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1164 2.5359 0.4768 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