[6-chloranyl-3-(3-ethoxy-3-oxidanylidene-propyl)-4-methyl-2-oxidanylidene-chromen-7-yl] 3,4,5-trimethoxybenzoate

Systemtic Name: [6-chloranyl-3-(3-ethoxy-3-oxidanylidene-propyl)-4-methyl-2-oxidanylidene-chromen-7-yl] 3,4,5-trimethoxybenzoate Openeye Name: [6-chloro-3-(3-ethoxy-3-oxo-propyl)-4-methyl-2-oxo-chromen-7-yl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic 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] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [6-chloro-3-(3-ethoxy-3-keto-propyl)-2-keto-4-methyl-chromen-7-yl] ester Formula: C25H25ClO9 MolecularWeight: 504.9136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25ClO9/c1-6-33-22(27)8-7-15-13(2)16-11-17(26)19(12-18(16)34-25(15)29)35-24(28)14-9-20(30-3)23(32-5)21(10-14)31-4/h9-12H,6-8H2,1-5H3