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

Systemtic Name: [4-[bis(2-oxidanyl-4-oxidanylidene-chromen-3-yl)methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[bis(2-hydroxy-4-oxo-chromen-3-yl)methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic 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-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[bis(2-hydroxy-4-keto-chromen-3-yl)methyl]phenyl] ester Formula: C32H22O9S MolecularWeight: 582.57668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C32H22O9S/c1-18-10-16-21(17-11-18)42(37,38)41-20-14-12-19(13-15-20)26(27-29(33)22-6-2-4-8-24(22)39-31(27)35)28-30(34)23-7-3-5-9-25(23)40-32(28)36/h2-17,26,35-36H,1H3