[2-(4-tert-butylphenyl)-4-oxidanylidene-chromen-3-yl] 3-(4-chlorophenyl)prop-2-enoate

Systemtic Name: [2-(4-tert-butylphenyl)-4-oxidanylidene-chromen-3-yl] 3-(4-chlorophenyl)prop-2-enoate Openeye Name: [2-(4-tert-butylphenyl)-4-oxo-chromen-3-yl] 3-(4-chlorophenyl)prop-2-enoate CAS Name: 3-(4-chlorophenyl)-2-propenoic acid [2-(4-tert-butylphenyl)-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(4-tert-butylphenyl)-4-oxochromen-3-yl] 3-(4-chlorophenyl)prop-2-enoate Traditional Name: 3-(4-chlorophenyl)acrylic acid [2-(4-tert-butylphenyl)-4-keto-chromen-3-yl] ester Formula: C28H23ClO4 MolecularWeight: 458.93282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OC(=O)C=CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OC(=O)C=CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H23ClO4/c1-28(2,3)20-13-11-19(12-14-20)26-27(25(31)22-6-4-5-7-23(22)32-26)33-24(30)17-10-18-8-15-21(29)16-9-18/h4-17H,1-3H3