2-[2,3-dimethyl-6,10-bis(oxidanyl)-9-oxidanylidene-1,4-dihydrophenanthren-4a-yl]ethanenitrile

Systemtic Name: 2-[2,3-dimethyl-6,10-bis(oxidanyl)-9-oxidanylidene-1,4-dihydrophenanthren-4a-yl]ethanenitrile Openeye Name: 2-(6,10-dihydroxy-2,3-dimethyl-9-oxo-1,4-dihydrophenanthren-4a-yl)acetonitrile CAS Name: 2-(6,10-dihydroxy-2,3-dimethyl-9-oxo-1,4-dihydrophenanthren-4a-yl)acetonitrile IUPAC Name: 2-(6,10-dihydroxy-2,3-dimethyl-9-oxo-1,4-dihydrophenanthren-4a-yl)acetonitrile Traditional Name: 2-(6,10-dihydroxy-9-keto-2,3-dimethyl-1,4-dihydrophenanthren-4a-yl)acetonitrile Formula: C18H17NO3 MolecularWeight: 295.33248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC2(C(=C(C(=O)C3=C2C=C(C=C3)O)O)C1)CC#N)C

Isomeric SMILES

CC1=C(CC2(C(=C(C(=O)C3=C2C=C(C=C3)O)O)C1)CC#N)C

InChI

InChI=1S/C18H17NO3/c1-10-7-15-17(22)16(21)13-4-3-12(20)8-14(13)18(15,5-6-19)9-11(10)2/h3-4,8,20,22H,5,7,9H2,1-2H3