[(4R,5S,8S)-4,8-dimethyl-1-oxidanyl-dec-9-en-5-yl] 4-nitrobenzoate

Systemtic Name: [(4R,5S,8S)-4,8-dimethyl-1-oxidanyl-dec-9-en-5-yl] 4-nitrobenzoate Openeye Name: [(1S,4S)-1-[(1R)-4-hydroxy-1-methyl-butyl]-4-methyl-hex-5-enyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(4R,5S,8S)-1-hydroxy-4,8-dimethyldec-9-en-5-yl] ester IUPAC Name: [(4R,5S,8S)-1-hydroxy-4,8-dimethyldec-9-en-5-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1S,4S)-1-[(1R)-4-hydroxy-1-methyl-butyl]-4-methyl-hex-5-enyl] ester Formula: C19H27NO5 MolecularWeight: 349.42138

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(C(C)CCCO)OC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C=C

Isomeric SMILES

C[C@@H](CC[C@@H]([C@H](C)CCCO)OC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C=C

InChI

InChI=1S/C19H27NO5/c1-4-14(2)7-12-18(15(3)6-5-13-21)25-19(22)16-8-10-17(11-9-16)20(23)24/h4,8-11,14-15,18,21H,1,5-7,12-13H2,2-3H3/t14-,15-,18+/m1/s1