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sodium 5-nitro-2-octadecoxy-benzoate

sodium 5-nitro-2-octadecoxy-benzoate

Systemtic Name:sodium 5-nitro-2-octadecoxy-benzoate
Openeye Name:sodium 5-nitro-2-octadecoxy-benzoate
CAS Name:sodium 5-nitro-2-octadecoxybenzoate
IUPAC Name:sodium 5-nitro-2-octadecoxybenzoate
Traditional Name:sodium 5-nitro-2-stearyloxy-benzoate
Formula: C25H40NNaO5
MolecularWeight: 457.57857
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)[O-].[Na+]


Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)[O-].[Na+]


InChI

InChI=1S/C25H41NO5.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-31-24-19-18-22(26(29)30)21-23(24)25(27)28;/h18-19,21H,2-17,20H2,1H3,(H,27,28);/q;+1/p-1


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