(8aS,10aS)-8-methoxy-2-methyl-9-oxidanylidene-8,10a-dihydro-5H-xanthene-8a-carbonitrile

Systemtic Name: (8aS,10aS)-8-methoxy-2-methyl-9-oxidanylidene-8,10a-dihydro-5H-xanthene-8a-carbonitrile Openeye Name: (8aS,10aS)-8-methoxy-2-methyl-9-oxo-8,10a-dihydro-5H-xanthene-8a-carbonitrile CAS Name: (8aS,10aS)-8-methoxy-2-methyl-9-oxo-8,10a-dihydro-5H-xanthene-8a-carbonitrile IUPAC Name: (8aS,10aS)-8-methoxy-2-methyl-9-oxo-8,10a-dihydro-5H-xanthene-8a-carbonitrile Traditional Name: (8aS,10aS)-9-keto-8-methoxy-2-methyl-8,10a-dihydro-5H-xanthene-8a-carbonitrile Formula: C16H15NO3 MolecularWeight: 269.2952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3CC=CC(C3(C2=O)C#N)OC

Isomeric SMILES

CC1=CC2=C(C=C1)O[C@H]3CC=CC([C@]3(C2=O)C#N)OC

InChI

InChI=1S/C16H15NO3/c1-10-6-7-12-11(8-10)15(18)16(9-17)13(19-2)4-3-5-14(16)20-12/h3-4,6-8,13-14H,5H2,1-2H3/t13?,14-,16+/m0/s1