4-[[(E)-16-oxidanyl-16-oxidanylidene-hexadec-9-enyl]amino]benzoic acid

Systemtic Name: 4-[[(E)-16-oxidanyl-16-oxidanylidene-hexadec-9-enyl]amino]benzoic acid Openeye Name: 4-[[(E)-16-hydroxy-16-oxo-hexadec-9-enyl]amino]benzoic acid CAS Name: 4-[[(E)-16-hydroxy-16-oxohexadec-9-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-16-hydroxy-16-oxohexadec-9-enyl]amino]benzoic acid Traditional Name: 4-[[(E)-16-hydroxy-16-keto-hexadec-9-enyl]amino]benzoic acid Formula: C23H35NO4 MolecularWeight: 389.5283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NCCCCCCCCC=CCCCCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NCCCCCCCC/C=C/CCCCCC(=O)O

InChI

InChI=1S/C23H35NO4/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/h2,4,15-18,24H,1,3,5-14,19H2,(H,25,26)(H,27,28)/b4-2+