[6-methoxy-4-oxidanylidene-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)-5-propan-2-yloxy-chromen-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [6-methoxy-4-oxidanylidene-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)-5-propan-2-yloxy-chromen-3-yl] 4-methylbenzenesulfonate Openeye Name: [7-benzyloxy-2-(4-benzyloxyphenyl)-5-isopropoxy-6-methoxy-4-oxo-chromen-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6-methoxy-4-oxo-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)-5-propan-2-yloxy-1-benzopyran-3-yl] ester IUPAC Name: [6-methoxy-4-oxo-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)-5-propan-2-yloxychromen-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [7-benzoxy-2-(4-benzoxyphenyl)-5-isopropoxy-4-keto-6-methoxy-chromen-3-yl] ester Formula: C40H36O9S MolecularWeight: 692.77344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(OC3=CC(=C(C(=C3C2=O)OC(C)C)OC)OCC4=CC=CC=C4)C5=CC=C(C=C5)OCC6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(OC3=CC(=C(C(=C3C2=O)OC(C)C)OC)OCC4=CC=CC=C4)C5=CC=C(C=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C40H36O9S/c1-26(2)47-39-35-33(23-34(38(39)44-4)46-25-29-13-9-6-10-14-29)48-37(30-17-19-31(20-18-30)45-24-28-11-7-5-8-12-28)40(36(35)41)49-50(42,43)32-21-15-27(3)16-22-32/h5-23,26H,24-25H2,1-4H3