[6-methoxy-2-(3-methoxy-4-phenylmethoxy-phenyl)-5-oxidanyl-4-oxidanylidene-7-phenylmethoxy-chromen-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [6-methoxy-2-(3-methoxy-4-phenylmethoxy-phenyl)-5-oxidanyl-4-oxidanylidene-7-phenylmethoxy-chromen-3-yl] 4-methylbenzenesulfonate Openeye Name: [7-benzyloxy-2-(4-benzyloxy-3-methoxy-phenyl)-5-hydroxy-6-methoxy-4-oxo-chromen-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-hydroxy-6-methoxy-2-(3-methoxy-4-phenylmethoxyphenyl)-4-oxo-7-phenylmethoxy-1-benzopyran-3-yl] ester IUPAC Name: [5-hydroxy-6-methoxy-2-(3-methoxy-4-phenylmethoxyphenyl)-4-oxo-7-phenylmethoxychromen-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [7-benzoxy-2-(4-benzoxy-3-methoxy-phenyl)-5-hydroxy-4-keto-6-methoxy-chromen-3-yl] ester Formula: C38H32O10S MolecularWeight: 680.71968

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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)O)OC)OCC4=CC=CC=C4)C5=CC(=C(C=C5)OCC6=CC=CC=C6)OC

Isomeric SMILES

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

InChI

InChI=1S/C38H32O10S/c1-24-14-17-28(18-15-24)49(41,42)48-38-35(40)33-31(21-32(37(44-3)34(33)39)46-23-26-12-8-5-9-13-26)47-36(38)27-16-19-29(30(20-27)43-2)45-22-25-10-6-4-7-11-25/h4-21,39H,22-23H2,1-3H3