(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-chloranyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-chloranyl-5-methoxy-4-propoxy-benzoate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 3-chloro-5-methoxy-4-propoxy-benzoate CAS Name: 3-chloro-5-methoxy-4-propoxybenzoic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 3-chloro-5-methoxy-4-propoxybenzoate Traditional Name: 3-chloro-5-methoxy-4-propoxy-benzoic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C21H19ClO7 MolecularWeight: 418.82436

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O)OC

InChI

InChI=1S/C21H19ClO7/c1-3-6-27-20-16(22)7-12(8-18(20)26-2)21(25)28-11-13-9-19(24)29-17-10-14(23)4-5-15(13)17/h4-5,7-10,23H,3,6,11H2,1-2H3