[6-chloranyl-2-(4-methylphenyl)-4-oxidanylidene-chromen-3-yl] 3-(4-methoxyphenoxy)propanoate

Systemtic Name: [6-chloranyl-2-(4-methylphenyl)-4-oxidanylidene-chromen-3-yl] 3-(4-methoxyphenoxy)propanoate Openeye Name: [6-chloro-4-oxo-2-(p-tolyl)chromen-3-yl] 3-(4-methoxyphenoxy)propanoate CAS Name: 3-(4-methoxyphenoxy)propanoic acid [6-chloro-2-(4-methylphenyl)-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [6-chloro-2-(4-methylphenyl)-4-oxochromen-3-yl] 3-(4-methoxyphenoxy)propanoate Traditional Name: 3-(4-methoxyphenoxy)propionic acid [6-chloro-4-keto-2-(p-tolyl)chromen-3-yl] ester Formula: C26H21ClO6 MolecularWeight: 464.89434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OC(=O)CCOC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OC(=O)CCOC4=CC=C(C=C4)OC

InChI

InChI=1S/C26H21ClO6/c1-16-3-5-17(6-4-16)25-26(24(29)21-15-18(27)7-12-22(21)32-25)33-23(28)13-14-31-20-10-8-19(30-2)9-11-20/h3-12,15H,13-14H2,1-2H3