2-(4-tert-butylphenyl)-3-[(3-chlorophenyl)methoxy]-6,7-dimethyl-chromen-4-one

Systemtic Name: 2-(4-tert-butylphenyl)-3-[(3-chlorophenyl)methoxy]-6,7-dimethyl-chromen-4-one Openeye Name: 2-(4-tert-butylphenyl)-3-[(3-chlorophenyl)methoxy]-6,7-dimethyl-chromen-4-one CAS Name: 2-(4-tert-butylphenyl)-3-[(3-chlorophenyl)methoxy]-6,7-dimethyl-1-benzopyran-4-one IUPAC Name: 2-(4-tert-butylphenyl)-3-[(3-chlorophenyl)methoxy]-6,7-dimethylchromen-4-one Traditional Name: 2-(4-tert-butylphenyl)-3-(3-chlorobenzyl)oxy-6,7-dimethyl-chromone Formula: C28H27ClO3 MolecularWeight: 446.96518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)C(C)(C)C)OCC4=CC(=CC=C4)Cl)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)C(C)(C)C)OCC4=CC(=CC=C4)Cl)C

InChI

InChI=1S/C28H27ClO3/c1-17-13-23-24(14-18(17)2)32-26(20-9-11-21(12-10-20)28(3,4)5)27(25(23)30)31-16-19-7-6-8-22(29)15-19/h6-15H,16H2,1-5H3