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
-1.9807 -1.5292 0.7244 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8697 -0.4077 0.1223 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0607 0.2750 -0.3603 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9708 1.4223 -0.9785 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3945 -0.3373 -0.1491 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5953 0.0773 -0.0249 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5276 -0.6612 0.4819 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8154 0.0789 0.1966 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8657 -0.6492 0.6912 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3509 0.0437 0.4498 S 0 0 0 0 0 6 0 0 0 0 0 0
4.3206 1.5415 0.7100 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8392 -0.1610 -0.9551 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4377 -0.6319 1.5366 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
-2.0059 1.8614 -1.1291 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8395 1.9326 -1.3372 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3341 -1.4044 0.1587 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0260 -0.2732 -1.0738 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9263 0.1759 0.7039 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3610 -0.7311 1.5759 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4890 -1.6500 0.0288 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7772 1.1271 0.4906 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9206 0.0762 -0.9281 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2986 -0.1754 1.5322 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