phenyl 3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1-benzofuran-2-carboxylate

Systemtic Name: phenyl 3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1-benzofuran-2-carboxylate Openeye Name: phenyl 3,6,6-trimethyl-4-oxo-5,7-dihydrobenzofuran-2-carboxylate CAS Name: 3,6,6-trimethyl-4-oxo-5,7-dihydrobenzofuran-2-carboxylic acid phenyl ester IUPAC Name: phenyl 3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxylate Traditional Name: 4-keto-3,6,6-trimethyl-5,7-dihydrobenzofuran-2-carboxylic acid phenyl ester Formula: C18H18O4 MolecularWeight: 298.33312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=O)CC(C2)(C)C)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CC1=C(OC2=C1C(=O)CC(C2)(C)C)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C18H18O4/c1-11-15-13(19)9-18(2,3)10-14(15)22-16(11)17(20)21-12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3