[2-(4-tert-butylphenyl)-6-chloranyl-4-oxidanylidene-chromen-3-yl] 3-phenylpropanoate

Systemtic Name: [2-(4-tert-butylphenyl)-6-chloranyl-4-oxidanylidene-chromen-3-yl] 3-phenylpropanoate Openeye Name: [2-(4-tert-butylphenyl)-6-chloro-4-oxo-chromen-3-yl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [2-(4-tert-butylphenyl)-6-chloro-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(4-tert-butylphenyl)-6-chloro-4-oxochromen-3-yl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [2-(4-tert-butylphenyl)-6-chloro-4-keto-chromen-3-yl] ester Formula: C28H25ClO4 MolecularWeight: 460.9487

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OC(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C28H25ClO4/c1-28(2,3)20-12-10-19(11-13-20)26-27(25(31)22-17-21(29)14-15-23(22)32-26)33-24(30)16-9-18-7-5-4-6-8-18/h4-8,10-15,17H,9,16H2,1-3H3