[6-chloranyl-3-(3-ethoxy-3-oxidanylidene-propyl)-4-methyl-2-oxidanylidene-chromen-7-yl] benzoate

Systemtic Name: [6-chloranyl-3-(3-ethoxy-3-oxidanylidene-propyl)-4-methyl-2-oxidanylidene-chromen-7-yl] benzoate Openeye Name: [6-chloro-3-(3-ethoxy-3-oxo-propyl)-4-methyl-2-oxo-chromen-7-yl] benzoate CAS Name: benzoic acid [6-chloro-3-(3-ethoxy-3-oxopropyl)-4-methyl-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [6-chloro-3-(3-ethoxy-3-oxopropyl)-4-methyl-2-oxochromen-7-yl] benzoate Traditional Name: benzoic acid [6-chloro-3-(3-ethoxy-3-keto-propyl)-2-keto-4-methyl-chromen-7-yl] ester Formula: C22H19ClO6 MolecularWeight: 414.83566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(C2=CC(=C(C=C2OC1=O)OC(=O)C3=CC=CC=C3)Cl)C

Isomeric SMILES

CCOC(=O)CCC1=C(C2=CC(=C(C=C2OC1=O)OC(=O)C3=CC=CC=C3)Cl)C

InChI

InChI=1S/C22H19ClO6/c1-3-27-20(24)10-9-15-13(2)16-11-17(23)19(12-18(16)28-22(15)26)29-21(25)14-7-5-4-6-8-14/h4-8,11-12H,3,9-10H2,1-2H3