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
-1.2409 -0.9034 -0.4772 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4066 0.3277 -0.2768 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5602 0.8106 0.4728 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7511 2.0983 0.6931 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5616 -0.1358 1.0146 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4619 1.1980 -0.7897 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6711 0.8121 -1.5164 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5888 -0.0657 -0.7347 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7155 -0.4534 -1.4470 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7391 -1.4282 -0.5856 S 0 0 0 0 0 6 0 0 0 0 0 0
4.6462 -0.5194 0.2332 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6143 -2.2533 -1.4579 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9289 -2.3977 0.5164 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
-2.0150 2.8071 0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5922 2.4846 1.2424 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3437 -1.1820 0.6677 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5078 -0.1894 2.1307 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5936 0.0827 0.6713 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1814 1.6861 -1.9623 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2995 0.2064 -2.3829 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9816 0.5639 0.1196 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0584 -0.8915 -0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6095 -2.6578 1.2120 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