6-tert-butyl-4-[4-(4-chlorophenyl)phenyl]chromen-2-one

Systemtic Name: 6-tert-butyl-4-[4-(4-chlorophenyl)phenyl]chromen-2-one Openeye Name: 6-tert-butyl-4-[4-(4-chlorophenyl)phenyl]chromen-2-one CAS Name: 6-tert-butyl-4-[4-(4-chlorophenyl)phenyl]-1-benzopyran-2-one IUPAC Name: 6-tert-butyl-4-[4-(4-chlorophenyl)phenyl]chromen-2-one Traditional Name: 6-tert-butyl-4-[4-(4-chlorophenyl)phenyl]coumarin Formula: C25H21ClO2 MolecularWeight: 388.88604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OC(=O)C=C2C3=CC=C(C=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OC(=O)C=C2C3=CC=C(C=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H21ClO2/c1-25(2,3)19-10-13-23-22(14-19)21(15-24(27)28-23)18-6-4-16(5-7-18)17-8-11-20(26)12-9-17/h4-15H,1-3H3