[2-(4-tert-butylphenyl)-6-chloranyl-7-methyl-4-oxidanylidene-chromen-3-yl] 3-methylbenzoate

Systemtic Name: [2-(4-tert-butylphenyl)-6-chloranyl-7-methyl-4-oxidanylidene-chromen-3-yl] 3-methylbenzoate Openeye Name: [2-(4-tert-butylphenyl)-6-chloro-7-methyl-4-oxo-chromen-3-yl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2-(4-tert-butylphenyl)-6-chloro-7-methyl-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(4-tert-butylphenyl)-6-chloro-7-methyl-4-oxochromen-3-yl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [2-(4-tert-butylphenyl)-6-chloro-4-keto-7-methyl-chromen-3-yl] ester Formula: C28H25ClO4 MolecularWeight: 460.9487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=C(OC3=CC(=C(C=C3C2=O)Cl)C)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=C(OC3=CC(=C(C=C3C2=O)Cl)C)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C28H25ClO4/c1-16-7-6-8-19(13-16)27(31)33-26-24(30)21-15-22(29)17(2)14-23(21)32-25(26)18-9-11-20(12-10-18)28(3,4)5/h6-15H,1-5H3