[(3S)-3-ethyl-3-methanoyl-6-methoxy-6-oxidanylidene-hexyl] 4-nitrobenzoate

Systemtic Name: [(3S)-3-ethyl-3-methanoyl-6-methoxy-6-oxidanylidene-hexyl] 4-nitrobenzoate Openeye Name: [(3S)-3-ethyl-3-formyl-6-methoxy-6-oxo-hexyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(3S)-3-ethyl-3-formyl-6-methoxy-6-oxohexyl] ester IUPAC Name: [(3S)-3-ethyl-3-formyl-6-methoxy-6-oxohexyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(3S)-3-ethyl-3-formyl-6-keto-6-methoxy-hexyl] ester Formula: C17H21NO7 MolecularWeight: 351.35114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO7/c1-3-17(12-19,9-8-15(20)24-2)10-11-25-16(21)13-4-6-14(7-5-13)18(22)23/h4-7,12H,3,8-11H2,1-2H3/t17-/m0/s1