C1=CC=C(C=C1)S(=O)[O-].O.O.[Na+]
CAS: 25932-11-0
Name: sodium;benzenesulfinate;dihydrate
SMILES: C1=CC=C(C=C1)S(=O)[O-].O.O.[Na+]

Molecular Processing

Molecular formula
C6H9NaO4S
Molecular weight
200.19
Exact mass
200.0119
XLogP
-3.72
TPSA
103.13
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
4
Fraction Csp3
0
Molar refractivity
40.86

Supplementary Information

InChIKey: MYXJYAIKMQJHIB-UHFFFAOYSA-M
Synonyme
25932-11-0Benzenesulfinic acid, sodium salt, dihydrateSodium phenyl sulfinate dihydrateBenzensulfinan sodnyBenzensulfinan sodny [Czech]DTXSID10180600RefChem:117715DTXCID10103091SodiuM Benzenesulfinate DihydrateBenzenesulfinic Acid Sodium Salt Dihydratesodium;benzenesulfinate;dihydrateC6H9NaO4SBenzenesulfinic acid, sodium salt, hydrate (1:1:2)SodiuMBenzenesulfinateDihydrateMFCD00149638PhSO2Na.2H2OSCHEMBL459187AKOS025310578CS-W015626phenylsulfinic acid sodium salt dihydrateAS-80759Sodium benzenesulfinate--water (1/1/2)DB-229849Benzenesulfinic acid sodium salt hydrate (1:1:2)F544521
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