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

Systemtic Name: [2-(4-tert-butylphenyl)-6-chloranyl-4-oxidanylidene-chromen-3-yl] 3-(4-methylphenoxy)propanoate Openeye Name: [2-(4-tert-butylphenyl)-6-chloro-4-oxo-chromen-3-yl] 3-(4-methylphenoxy)propanoate CAS Name: 3-(4-methylphenoxy)propanoic 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-(4-methylphenoxy)propanoate Traditional Name: 3-(4-methylphenoxy)propionic acid [2-(4-tert-butylphenyl)-6-chloro-4-keto-chromen-3-yl] ester Formula: C29H27ClO5 MolecularWeight: 490.97468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCC(=O)OC2=C(OC3=C(C2=O)C=C(C=C3)Cl)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)OCCC(=O)OC2=C(OC3=C(C2=O)C=C(C=C3)Cl)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C29H27ClO5/c1-18-5-12-22(13-6-18)33-16-15-25(31)35-28-26(32)23-17-21(30)11-14-24(23)34-27(28)19-7-9-20(10-8-19)29(2,3)4/h5-14,17H,15-16H2,1-4H3