13-oxidanylidene-13-[[2-(4-sulfinobutylsulfanyl)phenyl]amino]tridecanoic acid

Systemtic Name: 13-oxidanylidene-13-[[2-(4-sulfinobutylsulfanyl)phenyl]amino]tridecanoic acid Openeye Name: 13-oxo-13-[2-(4-sulfinobutylsulfanyl)anilino]tridecanoic acid CAS Name: 13-oxo-13-[2-(4-sulfinobutylthio)anilino]tridecanoic acid IUPAC Name: 13-oxo-13-[2-(4-sulfinobutylsulfanyl)anilino]tridecanoic acid Traditional Name: 13-keto-13-[2-(4-sulfinobutylthio)anilino]tridecanoic acid Formula: C23H37NO5S2 MolecularWeight: 471.67358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCCCCCCCCCCC(=O)O)SCCCCS(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCCCCCCCCCCC(=O)O)SCCCCS(=O)O

InChI

InChI=1S/C23H37NO5S2/c25-22(16-8-6-4-2-1-3-5-7-9-17-23(26)27)24-20-14-10-11-15-21(20)30-18-12-13-19-31(28)29/h10-11,14-15H,1-9,12-13,16-19H2,(H,24,25)(H,26,27)(H,28,29)