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
-0.7054 1.7203 0.2260 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2820 0.6118 0.3341 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6026 0.4545 -0.2489 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1621 1.4733 -0.8747 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3514 -0.8284 -0.1631 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6025 -0.3719 1.0055 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6490 -0.2817 1.5786 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7743 0.0484 0.6724 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9575 -0.8793 -0.3507 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2439 -0.4519 -1.3419 S 0 0 0 0 0 6 0 0 0 0 0 0
3.1191 0.9523 -1.8492 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2922 -1.4327 -2.4815 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7003 -0.5580 -0.5044 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
-4.1499 1.3919 -1.3234 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6869 2.4393 -0.9821 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8330 -1.5582 0.4845 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6016 -1.2386 -1.1687 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3539 -0.6614 0.3294 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6990 0.4298 2.4475 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8806 -1.2851 2.0451 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7463 1.0889 0.2879 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7200 0.0004 1.2879 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5493 -1.0636 0.3397 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