[4-[1-[4-(3-methylphenyl)carbonyloxyphenyl]-3-oxidanylidene-2-benzofuran-1-yl]phenyl] 3-methylbenzoate

Systemtic Name: [4-[1-[4-(3-methylphenyl)carbonyloxyphenyl]-3-oxidanylidene-2-benzofuran-1-yl]phenyl] 3-methylbenzoate Openeye Name: [4-[1-[4-(3-methylbenzoyl)oxyphenyl]-3-oxo-isobenzofuran-1-yl]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-[1-[4-[(3-methylphenyl)-oxomethoxy]phenyl]-3-oxo-1-isobenzofuranyl]phenyl] ester IUPAC Name: [4-[1-[4-(3-methylbenzoyl)oxyphenyl]-3-oxo-2-benzofuran-1-yl]phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-[3-keto-1-(4-m-toluoyloxyphenyl)phthalan-1-yl]phenyl] ester Formula: C36H26O6 MolecularWeight: 554.58804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)C3(C4=CC=CC=C4C(=O)O3)C5=CC=C(C=C5)OC(=O)C6=CC(=CC=C6)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)C3(C4=CC=CC=C4C(=O)O3)C5=CC=C(C=C5)OC(=O)C6=CC(=CC=C6)C

InChI

InChI=1S/C36H26O6/c1-23-7-5-9-25(21-23)33(37)40-29-17-13-27(14-18-29)36(32-12-4-3-11-31(32)35(39)42-36)28-15-19-30(20-16-28)41-34(38)26-10-6-8-24(2)22-26/h3-22H,1-2H3