methyl 9-butyl-8-oxidanylidene-5,5a,6,7-tetrahydro-4H-benzo[e][1]benzofuran-2-carboxylate

Systemtic Name: methyl 9-butyl-8-oxidanylidene-5,5a,6,7-tetrahydro-4H-benzo[e][1]benzofuran-2-carboxylate Openeye Name: methyl 9-butyl-8-oxo-5,5a,6,7-tetrahydro-4H-benzo[e]benzofuran-2-carboxylate CAS Name: 9-butyl-8-oxo-5,5a,6,7-tetrahydro-4H-benzo[e]benzofuran-2-carboxylic acid methyl ester IUPAC Name: methyl 9-butyl-8-oxo-5,5a,6,7-tetrahydro-4H-benzo[e][1]benzofuran-2-carboxylate Traditional Name: 9-butyl-8-keto-5,5a,6,7-tetrahydro-4H-benzo[e]benzofuran-2-carboxylic acid methyl ester Formula: C18H22O4 MolecularWeight: 302.36488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C(CCC3=C2C=C(O3)C(=O)OC)CCC1=O

Isomeric SMILES

CCCCC1=C2C(CCC3=C2C=C(O3)C(=O)OC)CCC1=O

InChI

InChI=1S/C18H22O4/c1-3-4-5-12-14(19)8-6-11-7-9-15-13(17(11)12)10-16(22-15)18(20)21-2/h10-11H,3-9H2,1-2H3