sodium 4-[(16-oxidanyl-16-oxidanylidene-hexadecyl)amino]benzoic acid

Systemtic Name: sodium 4-[(16-oxidanyl-16-oxidanylidene-hexadecyl)amino]benzoic acid Openeye Name: sodium 4-[(16-hydroxy-16-oxo-hexadecyl)amino]benzoic acid CAS Name: sodium 4-[(16-hydroxy-16-oxohexadecyl)amino]benzoic acid IUPAC Name: sodium 4-[(16-hydroxy-16-oxohexadecyl)amino]benzoic acid Traditional Name: sodium 4-[(16-hydroxy-16-keto-hexadecyl)amino]benzoic acid Formula: C23H37NNaO4+ MolecularWeight: 414.53395

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NCCCCCCCCCCCCCCCC(=O)O.[Na+]

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NCCCCCCCCCCCCCCCC(=O)O.[Na+]

InChI

InChI=1S/C23H37NO4.Na/c25-22(26)14-12-10-8-6-4-2-1-3-5-7-9-11-13-19-24-21-17-15-20(16-18-21)23(27)28;/h15-18,24H,1-14,19H2,(H,25,26)(H,27,28);/q;+1