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
-2.8085 -0.5193 0.3337 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7851 -0.5257 -0.4313 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9143 -0.9215 -1.8178 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0902 -1.2739 -2.2854 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7489 -0.9377 -2.7186 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6039 -0.1393 0.1578 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5136 0.2445 1.5261 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8970 0.6180 1.9019 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3291 1.6936 1.1126 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8849 2.1519 1.4836 S 0 0 0 0 0 6 0 0 0 0 0 0
3.0950 3.6054 1.1540 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1579 1.9551 2.9407 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0015 1.2396 0.6214 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
-3.9768 -1.2733 -1.6421 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2625 -1.5804 -3.3079 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6012 -1.9871 -3.0863 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8344 -0.2184 -3.5582 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1473 -0.6563 -2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8692 -0.5646 2.1953 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1943 1.1071 1.6719 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6018 -0.2094 1.8322 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8964 0.9958 2.9444 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1920 0.3976 1.1022 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