[3-(4-chloranyl-3,5-dimethyl-phenoxy)-4-oxidanylidene-chromen-7-yl] 3,4-dimethylbenzoate

Systemtic Name: [3-(4-chloranyl-3,5-dimethyl-phenoxy)-4-oxidanylidene-chromen-7-yl] 3,4-dimethylbenzoate Openeye Name: [3-(4-chloro-3,5-dimethyl-phenoxy)-4-oxo-chromen-7-yl] 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid [3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-chloro-3,5-dimethylphenoxy)-4-oxochromen-7-yl] 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid [3-(4-chloro-3,5-dimethyl-phenoxy)-4-keto-chromen-7-yl] ester Formula: C26H21ClO5 MolecularWeight: 448.89494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)OC4=CC(=C(C(=C4)C)Cl)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)OC4=CC(=C(C(=C4)C)Cl)C)C

InChI

InChI=1S/C26H21ClO5/c1-14-5-6-18(9-15(14)2)26(29)32-19-7-8-21-22(12-19)30-13-23(25(21)28)31-20-10-16(3)24(27)17(4)11-20/h5-13H,1-4H3