[3,7-bis(oxidanyl)-4-oxidanylidene-2-(4-phenylmethoxyphenyl)chromen-5-yl] 4-methylbenzenesulfonate

Systemtic Name: [3,7-bis(oxidanyl)-4-oxidanylidene-2-(4-phenylmethoxyphenyl)chromen-5-yl] 4-methylbenzenesulfonate Openeye Name: [2-(4-benzyloxyphenyl)-3,7-dihydroxy-4-oxo-chromen-5-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3,7-dihydroxy-4-oxo-2-(4-phenylmethoxyphenyl)-1-benzopyran-5-yl] ester IUPAC Name: [3,7-dihydroxy-4-oxo-2-(4-phenylmethoxyphenyl)chromen-5-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(4-benzoxyphenyl)-3,7-dihydroxy-4-keto-chromen-5-yl] ester Formula: C29H22O8S MolecularWeight: 530.54518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=CC(=C2)O)OC(=C(C3=O)O)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=CC(=C2)O)OC(=C(C3=O)O)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C29H22O8S/c1-18-7-13-23(14-8-18)38(33,34)37-25-16-21(30)15-24-26(25)27(31)28(32)29(36-24)20-9-11-22(12-10-20)35-17-19-5-3-2-4-6-19/h2-16,30,32H,17H2,1H3