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

Systemtic Name: [2-[3,4-bis(phenylmethoxy)phenyl]-6-methoxy-5-oxidanyl-4-oxidanylidene-7-phenylmethoxy-chromen-3-yl] 4-methylbenzenesulfonate Openeye Name: [7-benzyloxy-2-(3,4-dibenzyloxyphenyl)-5-hydroxy-6-methoxy-4-oxo-chromen-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[3,4-bis(phenylmethoxy)phenyl]-5-hydroxy-6-methoxy-4-oxo-7-phenylmethoxy-1-benzopyran-3-yl] ester IUPAC Name: [2-[3,4-bis(phenylmethoxy)phenyl]-5-hydroxy-6-methoxy-4-oxo-7-phenylmethoxychromen-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [7-benzoxy-2-(3,4-dibenzoxyphenyl)-5-hydroxy-4-keto-6-methoxy-chromen-3-yl] ester Formula: C44H36O10S MolecularWeight: 756.81564

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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)OCC7=CC=CC=C7

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)OCC7=CC=CC=C7

InChI

InChI=1S/C44H36O10S/c1-29-18-21-34(22-19-29)55(47,48)54-44-41(46)39-37(25-38(43(49-2)40(39)45)52-28-32-16-10-5-11-17-32)53-42(44)33-20-23-35(50-26-30-12-6-3-7-13-30)36(24-33)51-27-31-14-8-4-9-15-31/h3-25,45H,26-28H2,1-2H3