4-(2-hexadecanoylsulfanylethanoylamino)benzoic acid

Systemtic Name: 4-(2-hexadecanoylsulfanylethanoylamino)benzoic acid Openeye Name: 4-[(2-hexadecanoylsulfanylacetyl)amino]benzoic acid CAS Name: 4-[[1-oxo-2-(1-oxohexadecylthio)ethyl]amino]benzoic acid IUPAC Name: 4-[(2-hexadecanoylsulfanylacetyl)amino]benzoic acid Traditional Name: 4-[[2-(hexadecanoylthio)acetyl]amino]benzoic acid Formula: C25H39NO4S MolecularWeight: 449.64646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)SCC(=O)NC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)SCC(=O)NC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C25H39NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(28)31-20-23(27)26-22-18-16-21(17-19-22)25(29)30/h16-19H,2-15,20H2,1H3,(H,26,27)(H,29,30)