[(Z,3S,4R)-3-methyl-4-oxidanyl-oct-1-enyl] 4-nitrobenzoate

Systemtic Name: [(Z,3S,4R)-3-methyl-4-oxidanyl-oct-1-enyl] 4-nitrobenzoate Openeye Name: [(Z,3S,4R)-4-hydroxy-3-methyl-oct-1-enyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(Z,3S,4R)-4-hydroxy-3-methyloct-1-enyl] ester IUPAC Name: [(Z,3S,4R)-4-hydroxy-3-methyloct-1-enyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(Z,3S,4R)-4-hydroxy-3-methyl-oct-1-enyl] ester Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C)C=COC(=O)C1=CC=C(C=C1)[N+](=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO5/c1-3-4-5-15(18)12(2)10-11-22-16(19)13-6-8-14(9-7-13)17(20)21/h6-12,15,18H,3-5H2,1-2H3/b11-10-/t12-,15+/m0/s1