[2-(2-chlorophenyl)-6,7-dimethyl-4-oxidanylidene-chromen-3-yl] 4-tert-butylbenzoate

Systemtic Name: [2-(2-chlorophenyl)-6,7-dimethyl-4-oxidanylidene-chromen-3-yl] 4-tert-butylbenzoate Openeye Name: [2-(2-chlorophenyl)-6,7-dimethyl-4-oxo-chromen-3-yl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [2-(2-chlorophenyl)-6,7-dimethyl-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [2-(2-chlorophenyl)-4-keto-6,7-dimethyl-chromen-3-yl] ester Formula: C28H25ClO4 MolecularWeight: 460.9487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=O)C(=C(O2)C3=CC=CC=C3Cl)OC(=O)C4=CC=C(C=C4)C(C)(C)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=O)C(=C(O2)C3=CC=CC=C3Cl)OC(=O)C4=CC=C(C=C4)C(C)(C)C)C

InChI

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