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

Systemtic Name: [(4R,5S,8S)-1-acetyloxy-4,8-dimethyl-dec-9-en-5-yl] 4-nitrobenzoate Openeye Name: [(1S,4S)-1-[(1R)-4-acetoxy-1-methyl-butyl]-4-methyl-hex-5-enyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(4R,5S,8S)-1-acetyloxy-4,8-dimethyldec-9-en-5-yl] ester IUPAC Name: [(4R,5S,8S)-1-acetyloxy-4,8-dimethyldec-9-en-5-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1S,4S)-1-[(1R)-4-acetoxy-1-methyl-butyl]-4-methyl-hex-5-enyl] ester Formula: C21H29NO6 MolecularWeight: 391.45806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO6/c1-5-15(2)8-13-20(16(3)7-6-14-27-17(4)23)28-21(24)18-9-11-19(12-10-18)22(25)26/h5,9-12,15-16,20H,1,6-8,13-14H2,2-4H3/t15-,16-,20+/m1/s1