butyl 2-(2-oxidanyl-3-oxidanylidene-cyclohepta-1,4,6-trien-1-yl)ethanoate

Systemtic Name: butyl 2-(2-oxidanyl-3-oxidanylidene-cyclohepta-1,4,6-trien-1-yl)ethanoate Openeye Name: butyl 2-(2-hydroxy-3-oxo-cyclohepta-1,4,6-trien-1-yl)acetate CAS Name: 2-(2-hydroxy-3-oxo-1-cyclohepta-1,4,6-trienyl)acetic acid butyl ester IUPAC Name: butyl 2-(2-hydroxy-3-oxocyclohepta-1,4,6-trien-1-yl)acetate Traditional Name: 2-(2-hydroxy-3-keto-cyclohepta-1,4,6-trien-1-yl)acetic acid butyl ester Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC1=C(C(=O)C=CC=C1)O

Isomeric SMILES

CCCCOC(=O)CC1=C(C(=O)C=CC=C1)O

InChI

InChI=1S/C13H16O4/c1-2-3-8-17-12(15)9-10-6-4-5-7-11(14)13(10)16/h4-7H,2-3,8-9H2,1H3,(H,14,16)