[2-oxidanylidene-3-(3-oxidanylidene-1-phenyl-butyl)chromen-4-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-oxidanylidene-3-(3-oxidanylidene-1-phenyl-butyl)chromen-4-yl] 4-methylbenzenesulfonate Openeye Name: [2-oxo-3-(3-oxo-1-phenyl-butyl)chromen-4-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-oxo-3-(3-oxo-1-phenylbutyl)-1-benzopyran-4-yl] ester IUPAC Name: [2-oxo-3-(3-oxo-1-phenylbutyl)chromen-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-keto-3-(3-keto-1-phenyl-butyl)chromen-4-yl] ester Formula: C26H22O6S MolecularWeight: 462.51428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)OC3=CC=CC=C32)C(CC(=O)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)OC3=CC=CC=C32)C(CC(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C26H22O6S/c1-17-12-14-20(15-13-17)33(29,30)32-25-21-10-6-7-11-23(21)31-26(28)24(25)22(16-18(2)27)19-8-4-3-5-9-19/h3-15,22H,16H2,1-2H3