2-[(5aS,9aS)-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-3-yl]-3,6-bis(oxidanyl)benzenecarbonitrile

Systemtic Name: 2-[(5aS,9aS)-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-3-yl]-3,6-bis(oxidanyl)benzenecarbonitrile Openeye Name: 2-[(5aS,9aS)-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydrobenzo[e]isobenzofuran-3-yl]-3,6-dihydroxy-benzonitrile CAS Name: 2-[(5aS,9aS)-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydrobenzo[e]isobenzofuran-3-yl]-3,6-dihydroxybenzonitrile IUPAC Name: 2-[(5aS,9aS)-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-3-yl]-3,6-dihydroxybenzonitrile Traditional Name: 2-[(5aS,9aS)-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydrobenz[e]isobenzofuran-3-yl]-3,6-dihydroxy-benzonitrile Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC2(C1CCC3=C(OC=C32)C4=C(C=CC(=C4C#N)O)O)C)C

Isomeric SMILES

C[C@]12CCCC([C@@H]1CCC3=C(OC=C23)C4=C(C=CC(=C4C#N)O)O)(C)C

InChI

InChI=1S/C22H25NO3/c1-21(2)9-4-10-22(3)15-12-26-20(13(15)5-8-18(21)22)19-14(11-23)16(24)6-7-17(19)25/h6-7,12,18,24-25H,4-5,8-10H2,1-3H3/t18-,22+/m0/s1