methyl 2-(3-hexyl-6,7-dimethoxy-1H-isochromen-1-yl)-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-(3-hexyl-6,7-dimethoxy-1H-isochromen-1-yl)-3-oxidanylidene-butanoate Openeye Name: methyl 2-(3-hexyl-6,7-dimethoxy-1H-isochromen-1-yl)-3-oxo-butanoate CAS Name: 2-(3-hexyl-6,7-dimethoxy-1H-2-benzopyran-1-yl)-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-(3-hexyl-6,7-dimethoxy-1H-isochromen-1-yl)-3-oxobutanoate Traditional Name: 2-(3-hexyl-6,7-dimethoxy-1H-isochromen-1-yl)-3-keto-butyric acid methyl ester Formula: C22H30O6 MolecularWeight: 390.47

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=CC(=C(C=C2C(O1)C(C(=O)C)C(=O)OC)OC)OC

Isomeric SMILES

CCCCCCC1=CC2=CC(=C(C=C2C(O1)C(C(=O)C)C(=O)OC)OC)OC

InChI

InChI=1S/C22H30O6/c1-6-7-8-9-10-16-11-15-12-18(25-3)19(26-4)13-17(15)21(28-16)20(14(2)23)22(24)27-5/h11-13,20-21H,6-10H2,1-5H3