tripotassium 2-{hydroxybis[4-(sulfonatooxy)phenyl]methyl}benzoate hydrate

CAS: 62625-16-5

Formula: C20H15K3O12S2

SMILES: O.[K+].[K+].[K+].OC(C1=CC=C(OS([O-])(=O)=O)C=C1)(C1=CC=C(OS([O-])(=O)=O)C=C1)C1=CC=CC=C1C([O-])=O

IUPAC: tripotassium 2-{hydroxybis[4-(sulfonatooxy)phenyl]methyl}benzoate hydrate

InChI: InChI=1S/C20H16O11S2.3K.H2O/c21-19(22)17-3-1-2-4-18(17)20(23,13-5-9-15(10-6-13)30-32(24,25)26)14-7-11-16(12-8-14)31-33(27,28)29;;;;/h1-12,23H,(H,21,22)(H,24,25,26)(H,27,28,29);;;;1H2/q;3*+1;/p-3

Composition: C (38.21%), H (2.40%), K (18.66%), O (30.54%), S (10.20%)

Molar Mass: 628.74

Atom Count: 52

Heavy Atom Count: 37