[4-[(E)-(5-chloranyl-3-oxidanylidene-1-benzofuran-2-ylidene)methyl]-2-methoxy-phenyl] 4-methylbenzoate

Systemtic Name: [4-[(E)-(5-chloranyl-3-oxidanylidene-1-benzofuran-2-ylidene)methyl]-2-methoxy-phenyl] 4-methylbenzoate Openeye Name: [4-[(E)-(5-chloro-3-oxo-benzofuran-2-ylidene)methyl]-2-methoxy-phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[(E)-(5-chloro-3-oxo-2-benzofuranylidene)methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-(5-chloro-3-oxo-1-benzofuran-2-ylidene)methyl]-2-methoxyphenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[(E)-(5-chloro-3-keto-coumaran-2-ylidene)methyl]-2-methoxy-phenyl] ester Formula: C24H17ClO5 MolecularWeight: 420.84178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=C3C(=O)C4=C(O3)C=CC(=C4)Cl)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=C/3\C(=O)C4=C(O3)C=CC(=C4)Cl)OC

InChI

InChI=1S/C24H17ClO5/c1-14-3-6-16(7-4-14)24(27)30-20-9-5-15(11-21(20)28-2)12-22-23(26)18-13-17(25)8-10-19(18)29-22/h3-13H,1-2H3/b22-12+