methyl 1-oxidanylidenespiro[4H-isochromene-3,1'-cyclohexane]-4-carboxylate

Systemtic Name: methyl 1-oxidanylidenespiro[4H-isochromene-3,1'-cyclohexane]-4-carboxylate Openeye Name: methyl 1'-oxospiro[cyclohexane-1,3'-isochromane]-4'-carboxylate CAS Name: 1-oxo-4-spiro[3,4-dihydro-1H-2-benzopyran-3,1'-cyclohexane]carboxylic acid methyl ester IUPAC Name: methyl 1-oxospiro[4H-isochromene-3,1'-cyclohexane]-4-carboxylate Traditional Name: 1'-ketospiro[cyclohexane-1,3'-isochroman]-4'-carboxylic acid methyl ester Formula: C16H18O4 MolecularWeight: 274.31172

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C2=CC=CC=C2C(=O)OC13CCCCC3

Isomeric SMILES

COC(=O)C1C2=CC=CC=C2C(=O)OC13CCCCC3

InChI

InChI=1S/C16H18O4/c1-19-15(18)13-11-7-3-4-8-12(11)14(17)20-16(13)9-5-2-6-10-16/h3-4,7-8,13H,2,5-6,9-10H2,1H3