3-(1-oxidanylideneisochromen-3-yl)propyl 4-methoxybenzoate

Systemtic Name: 3-(1-oxidanylideneisochromen-3-yl)propyl 4-methoxybenzoate Openeye Name: 3-(1-oxoisochromen-3-yl)propyl 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid 3-(1-oxo-2-benzopyran-3-yl)propyl ester IUPAC Name: 3-(1-oxoisochromen-3-yl)propyl 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid 3-(1-ketoisochromen-3-yl)propyl ester Formula: C20H18O5 MolecularWeight: 338.35392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OCCCC2=CC3=CC=CC=C3C(=O)O2

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OCCCC2=CC3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C20H18O5/c1-23-16-10-8-14(9-11-16)19(21)24-12-4-6-17-13-15-5-2-3-7-18(15)20(22)25-17/h2-3,5,7-11,13H,4,6,12H2,1H3