sodium 16-[(5-nitro-2-oxidanyl-phenyl)amino]-16-oxidanylidene-hexadecanoate

Systemtic Name: sodium 16-[(5-nitro-2-oxidanyl-phenyl)amino]-16-oxidanylidene-hexadecanoate Openeye Name: sodium 16-(2-hydroxy-5-nitro-anilino)-16-oxo-hexadecanoate CAS Name: sodium 16-(2-hydroxy-5-nitroanilino)-16-oxohexadecanoate IUPAC Name: sodium 16-(2-hydroxy-5-nitroanilino)-16-oxohexadecanoate Traditional Name: sodium 16-(2-hydroxy-5-nitro-anilino)-16-keto-palmitate Formula: C22H33N2NaO6 MolecularWeight: 444.49699

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])NC(=O)CCCCCCCCCCCCCCC(=O)[O-])O.[Na+]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])NC(=O)CCCCCCCCCCCCCCC(=O)[O-])O.[Na+]

InChI

InChI=1S/C22H34N2O6.Na/c25-20-16-15-18(24(29)30)17-19(20)23-21(26)13-11-9-7-5-3-1-2-4-6-8-10-12-14-22(27)28;/h15-17,25H,1-14H2,(H,23,26)(H,27,28);/q;+1/p-1