[4-[bis(2-oxidanyl-4-oxidanylidene-chromen-3-yl)methyl]phenyl] 4-tert-butylbenzenesulfonate

Systemtic Name: [4-[bis(2-oxidanyl-4-oxidanylidene-chromen-3-yl)methyl]phenyl] 4-tert-butylbenzenesulfonate Openeye Name: [4-[bis(2-hydroxy-4-oxo-chromen-3-yl)methyl]phenyl] 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonic acid [4-[bis(2-hydroxy-4-oxo-1-benzopyran-3-yl)methyl]phenyl] ester IUPAC Name: [4-[bis(2-hydroxy-4-oxochromen-3-yl)methyl]phenyl] 4-tert-butylbenzenesulfonate Traditional Name: 4-tert-butylbenzenesulfonic acid [4-[bis(2-hydroxy-4-keto-chromen-3-yl)methyl]phenyl] ester Formula: C35H28O9S MolecularWeight: 624.65642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(C3=C(OC4=CC=CC=C4C3=O)O)C5=C(OC6=CC=CC=C6C5=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(C3=C(OC4=CC=CC=C4C3=O)O)C5=C(OC6=CC=CC=C6C5=O)O

InChI

InChI=1S/C35H28O9S/c1-35(2,3)21-14-18-23(19-15-21)45(40,41)44-22-16-12-20(13-17-22)28(29-31(36)24-8-4-6-10-26(24)42-33(29)38)30-32(37)25-9-5-7-11-27(25)43-34(30)39/h4-19,28,38-39H,1-3H3