(3-butyl-3-oxidanyl-2-oxidanylidene-heptyl) 4-nitrobenzoate

Systemtic Name: (3-butyl-3-oxidanyl-2-oxidanylidene-heptyl) 4-nitrobenzoate Openeye Name: (3-butyl-3-hydroxy-2-oxo-heptyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (3-butyl-3-hydroxy-2-oxoheptyl) ester IUPAC Name: (3-butyl-3-hydroxy-2-oxoheptyl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (3-butyl-3-hydroxy-2-keto-heptyl) ester Formula: C18H25NO6 MolecularWeight: 351.3942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO6/c1-3-5-11-18(22,12-6-4-2)16(20)13-25-17(21)14-7-9-15(10-8-14)19(23)24/h7-10,22H,3-6,11-13H2,1-2H3