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
-0.4646 1.4728 -0.8002 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1125 0.4076 -0.6880 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4966 0.4784 -0.2398 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2446 -0.5945 -0.0964 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0705 1.8151 0.0623 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4764 -0.7726 -0.9961 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8473 -0.8972 -1.4298 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8546 -0.3729 -0.4573 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7948 -1.0391 0.7786 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9281 -0.4323 1.8386 S 0 0 0 0 0 6 0 0 0 0 0 0
2.8154 1.0499 2.0300 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3364 -0.7195 1.3818 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7052 -1.1837 3.3243 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
-4.2527 -0.4922 0.2346 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8345 -1.5573 -0.3131 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1667 1.7974 -0.0912 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8205 2.0493 1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6497 2.6159 -0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0404 -1.9783 -1.5986 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0384 -0.4013 -2.4048 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7895 0.7201 -0.3269 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8674 -0.5798 -0.8633 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5715 -1.3857 3.7339 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