[2-(4-tert-butylphenyl)-7-methyl-4-oxidanylidene-chromen-3-yl] 3-(4-chloranylphenoxy)propanoate

Systemtic Name: [2-(4-tert-butylphenyl)-7-methyl-4-oxidanylidene-chromen-3-yl] 3-(4-chloranylphenoxy)propanoate Openeye Name: [2-(4-tert-butylphenyl)-7-methyl-4-oxo-chromen-3-yl] 3-(4-chlorophenoxy)propanoate CAS Name: 3-(4-chlorophenoxy)propanoic acid [2-(4-tert-butylphenyl)-7-methyl-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(4-tert-butylphenyl)-7-methyl-4-oxochromen-3-yl] 3-(4-chlorophenoxy)propanoate Traditional Name: 3-(4-chlorophenoxy)propionic acid [2-(4-tert-butylphenyl)-4-keto-7-methyl-chromen-3-yl] ester Formula: C29H27ClO5 MolecularWeight: 490.97468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)C(C)(C)C)OC(=O)CCOC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)C(C)(C)C)OC(=O)CCOC4=CC=C(C=C4)Cl

InChI

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