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4-nitro-3-octanoyloxy-benzoic acid

4-nitro-3-octanoyloxy-benzoic acid

Systemtic Name:4-nitro-3-octanoyloxy-benzoic acid
Openeye Name:4-nitro-3-octanoyloxy-benzoic acid
CAS Name:4-nitro-3-(1-oxooctoxy)benzoic acid
IUPAC Name:4-nitro-3-octanoyloxybenzoic acid
Traditional Name:3-caprylyloxy-4-nitro-benzoic acid
Formula: C15H19NO6
MolecularWeight: 309.31446
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]


Isomeric SMILES

CCCCCCCC(=O)OC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]


InChI

InChI=1S/C15H19NO6/c1-2-3-4-5-6-7-14(17)22-13-10-11(15(18)19)8-9-12(13)16(20)21/h8-10H,2-7H2,1H3,(H,18,19)


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