(6aS,10aS)-8,9-dimethyl-1-oxidanyl-6-oxidanylidene-3-pentyl-10,10a-dihydro-7H-benzo[c]chromene-6a-carbonitrile

Systemtic Name: (6aS,10aS)-8,9-dimethyl-1-oxidanyl-6-oxidanylidene-3-pentyl-10,10a-dihydro-7H-benzo[c]chromene-6a-carbonitrile Openeye Name: (6aS,10aS)-1-hydroxy-8,9-dimethyl-6-oxo-3-pentyl-10,10a-dihydro-7H-benzo[c]chromene-6a-carbonitrile CAS Name: (6aS,10aS)-1-hydroxy-8,9-dimethyl-6-oxo-3-pentyl-10,10a-dihydro-7H-benzo[c][1]benzopyran-6a-carbonitrile IUPAC Name: (6aS,10aS)-1-hydroxy-8,9-dimethyl-6-oxo-3-pentyl-10,10a-dihydro-7H-benzo[c]chromene-6a-carbonitrile Traditional Name: (6aS,10aS)-3-amyl-1-hydroxy-6-keto-8,9-dimethyl-10,10a-dihydro-7H-benzo[c]chromene-6a-carbonitrile Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC2=C(C3CC(=C(CC3(C(=O)O2)C#N)C)C)C(=C1)O

Isomeric SMILES

CCCCCC1=CC2=C([C@@H]3CC(=C(C[C@@]3(C(=O)O2)C#N)C)C)C(=C1)O

InChI

InChI=1S/C21H25NO3/c1-4-5-6-7-15-9-17(23)19-16-8-13(2)14(3)11-21(16,12-22)20(24)25-18(19)10-15/h9-10,16,23H,4-8,11H2,1-3H3/t16-,21+/m0/s1