butyl 1-oxidanylidene-3,4-dihydroisochromene-3-carboxylate

Systemtic Name: butyl 1-oxidanylidene-3,4-dihydroisochromene-3-carboxylate Openeye Name: butyl 1-oxoisochromane-3-carboxylate CAS Name: 1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid butyl ester IUPAC Name: butyl 1-oxo-3,4-dihydroisochromene-3-carboxylate Traditional Name: 1-ketoisochroman-3-carboxylic acid butyl ester Formula: C14H16O4 MolecularWeight: 248.27444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1CC2=CC=CC=C2C(=O)O1

Isomeric SMILES

CCCCOC(=O)C1CC2=CC=CC=C2C(=O)O1

InChI

InChI=1S/C14H16O4/c1-2-3-8-17-14(16)12-9-10-6-4-5-7-11(10)13(15)18-12/h4-7,12H,2-3,8-9H2,1H3