[4-[8-(3-methyl-3-oxidanyl-butyl)-4-oxidanylidene-5,7-bis(phenylcarbonyloxy)chromen-3-yl]phenyl] benzoate

Systemtic Name: [4-[8-(3-methyl-3-oxidanyl-butyl)-4-oxidanylidene-5,7-bis(phenylcarbonyloxy)chromen-3-yl]phenyl] benzoate Openeye Name: [4-[5,7-dibenzoyloxy-8-(3-hydroxy-3-methyl-butyl)-4-oxo-chromen-3-yl]phenyl] benzoate CAS Name: benzoic acid [4-[5,7-dibenzoyloxy-8-(3-hydroxy-3-methylbutyl)-4-oxo-1-benzopyran-3-yl]phenyl] ester IUPAC Name: [4-[5,7-dibenzoyloxy-8-(3-hydroxy-3-methylbutyl)-4-oxochromen-3-yl]phenyl] benzoate Traditional Name: benzoic acid [4-[5,7-dibenzoyloxy-8-(3-hydroxy-3-methyl-butyl)-4-keto-chromen-3-yl]phenyl] ester Formula: C41H32O9 MolecularWeight: 668.68738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC1=C(C=C(C2=C1OC=C(C2=O)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)O

Isomeric SMILES

CC(C)(CCC1=C(C=C(C2=C1OC=C(C2=O)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)O

InChI

InChI=1S/C41H32O9/c1-41(2,46)23-22-31-33(49-39(44)28-14-8-4-9-15-28)24-34(50-40(45)29-16-10-5-11-17-29)35-36(42)32(25-47-37(31)35)26-18-20-30(21-19-26)48-38(43)27-12-6-3-7-13-27/h3-21,24-25,46H,22-23H2,1-2H3