3,7-dimethyloctyl 5-nitro-2-oxidanyl-benzoate

Systemtic Name: 3,7-dimethyloctyl 5-nitro-2-oxidanyl-benzoate Openeye Name: 3,7-dimethyloctyl 2-hydroxy-5-nitro-benzoate CAS Name: 2-hydroxy-5-nitrobenzoic acid 3,7-dimethyloctyl ester IUPAC Name: 3,7-dimethyloctyl 2-hydroxy-5-nitrobenzoate Traditional Name: 2-hydroxy-5-nitro-benzoic acid 3,7-dimethyloctyl ester Formula: C17H25NO5 MolecularWeight: 323.3841

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO5/c1-12(2)5-4-6-13(3)9-10-23-17(20)15-11-14(18(21)22)7-8-16(15)19/h7-8,11-13,19H,4-6,9-10H2,1-3H3