[3-methoxy-7-(methoxymethoxy)-4-oxidanylidene-2-(4-phenylmethoxyphenyl)chromen-5-yl] 4-methylbenzenesulfonate

Systemtic Name: [3-methoxy-7-(methoxymethoxy)-4-oxidanylidene-2-(4-phenylmethoxyphenyl)chromen-5-yl] 4-methylbenzenesulfonate Openeye Name: [2-(4-benzyloxyphenyl)-3-methoxy-7-(methoxymethoxy)-4-oxo-chromen-5-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-methoxy-7-(methoxymethoxy)-4-oxo-2-(4-phenylmethoxyphenyl)-1-benzopyran-5-yl] ester IUPAC Name: [3-methoxy-7-(methoxymethoxy)-4-oxo-2-(4-phenylmethoxyphenyl)chromen-5-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(4-benzoxyphenyl)-4-keto-3-methoxy-7-(methoxymethoxy)chromen-5-yl] ester Formula: C32H28O9S MolecularWeight: 588.62432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H28O9S/c1-21-9-15-26(16-10-21)42(34,35)41-28-18-25(39-20-36-2)17-27-29(28)30(33)32(37-3)31(40-27)23-11-13-24(14-12-23)38-19-22-7-5-4-6-8-22/h4-18H,19-20H2,1-3H3