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2-[(4-nitrophenyl)methyl]nonanedioate

2-[(4-nitrophenyl)methyl]nonanedioate

Systemtic Name:2-[(4-nitrophenyl)methyl]nonanedioate
Openeye Name:2-[(4-nitrophenyl)methyl]nonanedioate
CAS Name:2-[(4-nitrophenyl)methyl]nonanedioate
IUPAC Name:2-[(4-nitrophenyl)methyl]nonanedioate
Traditional Name:2-(4-nitrobenzyl)azelaate
Formula: C16H19NO6-2
MolecularWeight: 321.32516
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CCCCCCC(=O)[O-])C(=O)[O-])[N+](=O)[O-]


Isomeric SMILES

C1=CC(=CC=C1CC(CCCCCCC(=O)[O-])C(=O)[O-])[N+](=O)[O-]


InChI

InChI=1S/C16H21NO6/c18-15(19)6-4-2-1-3-5-13(16(20)21)11-12-7-9-14(10-8-12)17(22)23/h7-10,13H,1-6,11H2,(H,18,19)(H,20,21)/p-2


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