(6-chloranyl-7-methyl-4-oxidanylidene-2-phenyl-chromen-3-yl) 4-tert-butylbenzoate

Systemtic Name: (6-chloranyl-7-methyl-4-oxidanylidene-2-phenyl-chromen-3-yl) 4-tert-butylbenzoate Openeye Name: (6-chloro-7-methyl-4-oxo-2-phenyl-chromen-3-yl) 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid (6-chloro-7-methyl-4-oxo-2-phenyl-1-benzopyran-3-yl) ester IUPAC Name: (6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl) 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid (6-chloro-4-keto-7-methyl-2-phenyl-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=C(C=C3)C(C)(C)C)C4=CC=CC=C4)Cl

Isomeric SMILES

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

InChI

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