(3S)-3-[(1E,6E)-7-(3-methoxy-4-oxidanyl-phenyl)-4,4-dimethyl-3,5-bis(oxidanylidene)hepta-1,6-dienyl]-3,5,5-trimethyl-6-oxidanylidene-cyclohexene-1-carbonitrile

Systemtic Name: (3S)-3-[(1E,6E)-7-(3-methoxy-4-oxidanyl-phenyl)-4,4-dimethyl-3,5-bis(oxidanylidene)hepta-1,6-dienyl]-3,5,5-trimethyl-6-oxidanylidene-cyclohexene-1-carbonitrile Openeye Name: (3S)-3-[(1E,6E)-7-(4-hydroxy-3-methoxy-phenyl)-4,4-dimethyl-3,5-dioxo-hepta-1,6-dienyl]-3,5,5-trimethyl-6-oxo-cyclohexene-1-carbonitrile CAS Name: (3S)-3-[(1E,6E)-7-(4-hydroxy-3-methoxyphenyl)-4,4-dimethyl-3,5-dioxohepta-1,6-dienyl]-3,5,5-trimethyl-6-oxo-1-cyclohexenecarbonitrile IUPAC Name: (3S)-3-[(1E,6E)-7-(4-hydroxy-3-methoxyphenyl)-4,4-dimethyl-3,5-dioxohepta-1,6-dienyl]-3,5,5-trimethyl-6-oxocyclohexene-1-carbonitrile Traditional Name: (3S)-3-[(1E,6E)-7-(4-hydroxy-3-methoxy-phenyl)-3,5-diketo-4,4-dimethyl-hepta-1,6-dienyl]-6-keto-3,5,5-trimethyl-cyclohexene-1-carbonitrile Formula: C26H29NO5 MolecularWeight: 435.51216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@]1(CC(C(=O)C(=C1)C#N)(C)C)/C=C/C(=O)C(C)(C)C(=O)/C=C/C2=CC(=C(C=C2)O)OC

InChI

InChI=1S/C26H29NO5/c1-24(2)16-26(5,14-18(15-27)23(24)31)12-11-22(30)25(3,4)21(29)10-8-17-7-9-19(28)20(13-17)32-6/h7-14,28H,16H2,1-6H3/b10-8+,12-11+/t26-/m0/s1