[(Z,1R,5R)-6-(methoxymethoxy)-3,5-dimethyl-1-phenyl-hex-3-enyl] 4-nitrobenzoate

Systemtic Name: [(Z,1R,5R)-6-(methoxymethoxy)-3,5-dimethyl-1-phenyl-hex-3-enyl] 4-nitrobenzoate Openeye Name: [(Z,1R,5R)-6-(methoxymethoxy)-3,5-dimethyl-1-phenyl-hex-3-enyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(Z,1R,5R)-6-(methoxymethoxy)-3,5-dimethyl-1-phenylhex-3-enyl] ester IUPAC Name: [(Z,1R,5R)-6-(methoxymethoxy)-3,5-dimethyl-1-phenylhex-3-enyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(Z,1R,5R)-6-(methoxymethoxy)-3,5-dimethyl-1-phenyl-hex-3-enyl] ester Formula: C23H27NO6 MolecularWeight: 413.46358

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Descriptors Computed from Structure

Canonical SMILES:

CC(COCOC)C=C(C)CC(C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO6/c1-17(13-18(2)15-29-16-28-3)14-22(19-7-5-4-6-8-19)30-23(25)20-9-11-21(12-10-20)24(26)27/h4-13,18,22H,14-16H2,1-3H3/b17-13-/t18-,22-/m1/s1