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
0.7344 0.5252 1.2831 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3470 -0.0031 0.3342 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5576 0.6396 -0.1532 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2002 0.0787 -1.1541 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0465 1.9106 0.4823 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8926 -1.1555 -0.2326 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2703 -1.7831 0.2166 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4515 -0.9005 0.0066 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6483 -1.4878 0.4386 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8702 -0.3740 0.1340 S 0 0 0 0 0 6 0 0 0 0 0 0
-4.1394 0.3446 1.4379 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1116 -1.0742 -0.3423 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3445 0.7762 -0.9932 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
4.1096 0.5772 -1.5073 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8396 -0.8320 -1.6007 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0563 2.1391 0.0812 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1508 1.6964 1.5556 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3563 2.7431 0.3323 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4217 -2.7904 -0.2353 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2026 -1.9935 1.3277 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3455 0.0194 0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6051 -0.6455 -1.0592 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8801 1.5895 -0.9584 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