[2-[(E)-3-(4-chlorophenyl)-3-oxidanylidene-prop-1-enyl]phenyl] 4-tert-butylbenzoate

Systemtic Name: [2-[(E)-3-(4-chlorophenyl)-3-oxidanylidene-prop-1-enyl]phenyl] 4-tert-butylbenzoate Openeye Name: [2-[(E)-3-(4-chlorophenyl)-3-oxo-prop-1-enyl]phenyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [2-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [2-[(E)-3-(4-chlorophenyl)-3-keto-prop-1-enyl]phenyl] ester Formula: C26H23ClO3 MolecularWeight: 418.91202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2C=CC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2/C=C/C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C26H23ClO3/c1-26(2,3)21-13-8-20(9-14-21)25(29)30-24-7-5-4-6-19(24)12-17-23(28)18-10-15-22(27)16-11-18/h4-17H,1-3H3/b17-12+