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

Systemtic Name: [2-(4-tert-butylphenyl)-6-chloranyl-7-methyl-4-oxidanylidene-chromen-3-yl] benzoate Openeye Name: [2-(4-tert-butylphenyl)-6-chloro-7-methyl-4-oxo-chromen-3-yl] benzoate CAS Name: benzoic 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] benzoate Traditional Name: benzoic acid [2-(4-tert-butylphenyl)-6-chloro-4-keto-7-methyl-chromen-3-yl] ester Formula: C27H23ClO4 MolecularWeight: 446.92212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)OC(=C(C2=O)OC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=C1)OC(=C(C2=O)OC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C)Cl

InChI

InChI=1S/C27H23ClO4/c1-16-14-22-20(15-21(16)28)23(29)25(32-26(30)18-8-6-5-7-9-18)24(31-22)17-10-12-19(13-11-17)27(2,3)4/h5-15H,1-4H3