2-[(3S,3aR,5aR,7S,9aR,9bR)-3,3a,6,6,9a-pentamethyl-7-oxidanyl-2,4,5,5a,7,8,9,9b-octahydro-1H-cyclopenta[a]naphthalen-3-yl]propanedinitrile

Systemtic Name: 2-[(3S,3aR,5aR,7S,9aR,9bR)-3,3a,6,6,9a-pentamethyl-7-oxidanyl-2,4,5,5a,7,8,9,9b-octahydro-1H-cyclopenta[a]naphthalen-3-yl]propanedinitrile Openeye Name: 2-[(3S,3aR,5aR,7S,9aR,9bR)-7-hydroxy-3,3a,6,6,9a-pentamethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-cyclopenta[a]naphthalen-3-yl]propanedinitrile CAS Name: 2-[(3S,3aR,5aR,7S,9aR,9bR)-7-hydroxy-3,3a,6,6,9a-pentamethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-cyclopenta[a]naphthalen-3-yl]propanedinitrile IUPAC Name: 2-[(3S,3aR,5aR,7S,9aR,9bR)-7-hydroxy-3,3a,6,6,9a-pentamethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-cyclopenta[a]naphthalen-3-yl]propanedinitrile Traditional Name: 2-[(3S,3aR,5aR,7S,9aR,9bR)-7-hydroxy-3,3a,6,6,9a-pentamethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benz[e]inden-3-yl]malononitrile Formula: C21H32N2O MolecularWeight: 328.49158

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC3(C(C2(CCC1O)C)CCC3(C)C(C#N)C#N)C)C

Isomeric SMILES

C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC[C@@]3(C)C(C#N)C#N)C)(C)C)O

InChI

InChI=1S/C21H32N2O/c1-18(2)15-6-11-21(5)16(19(15,3)9-8-17(18)24)7-10-20(21,4)14(12-22)13-23/h14-17,24H,6-11H2,1-5H3/t15-,16+,17-,19-,20-,21+/m0/s1