2-oxidanyl-3-(3-oxidanylidene-1-phenyl-butyl)chromen-4-one sulfate

Systemtic Name: 2-oxidanyl-3-(3-oxidanylidene-1-phenyl-butyl)chromen-4-one sulfate Openeye Name: 2-hydroxy-3-(3-oxo-1-phenyl-butyl)chromen-4-one sulfate CAS Name: 2-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-4-one sulfate IUPAC Name: 2-hydroxy-3-(3-oxo-1-phenylbutyl)chromen-4-one sulfate Traditional Name: 2-hydroxy-3-(3-keto-1-phenyl-butyl)chromone sulfate Formula: C19H16O8S-2 MolecularWeight: 404.39054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C1=CC=CC=C1)C2=C(OC3=CC=CC=C3C2=O)O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC(=O)CC(C1=CC=CC=C1)C2=C(OC3=CC=CC=C3C2=O)O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C19H16O4.H2O4S/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22;1-5(2,3)4/h2-10,15,22H,11H2,1H3;(H2,1,2,3,4)/p-2