[(1S,2Z)-2-(6,6-dimethoxyhexylidene)-4,4-dimethyl-cyclohexyl] 4-nitrobenzoate

Systemtic Name: [(1S,2Z)-2-(6,6-dimethoxyhexylidene)-4,4-dimethyl-cyclohexyl] 4-nitrobenzoate Openeye Name: [(1S,2Z)-2-(6,6-dimethoxyhexylidene)-4,4-dimethyl-cyclohexyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1S,2Z)-2-(6,6-dimethoxyhexylidene)-4,4-dimethylcyclohexyl] ester IUPAC Name: [(1S,2Z)-2-(6,6-dimethoxyhexylidene)-4,4-dimethylcyclohexyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1S,2Z)-2-(6,6-dimethoxyhexylidene)-4,4-dimethyl-cyclohexyl] ester Formula: C23H33NO6 MolecularWeight: 419.51122

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C(=CCCCCC(OC)OC)C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC[C@@H](/C(=C\CCCCC(OC)OC)/C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C23H33NO6/c1-23(2)15-14-20(18(16-23)8-6-5-7-9-21(28-3)29-4)30-22(25)17-10-12-19(13-11-17)24(26)27/h8,10-13,20-21H,5-7,9,14-16H2,1-4H3/b18-8-/t20-/m0/s1