12-oxidanylidene-12-[[2-(4-oxidanylsulfonothioylbutylsulfanyl)phenyl]amino]dodecanoic acid

Systemtic Name: 12-oxidanylidene-12-[[2-(4-oxidanylsulfonothioylbutylsulfanyl)phenyl]amino]dodecanoic acid Openeye Name: 12-[2-(4-hydroxysulfonothioylbutylsulfanyl)anilino]-12-oxo-dodecanoic acid CAS Name: 12-[2-(4-hydroxysulfonothioylbutylthio)anilino]-12-oxododecanoic acid IUPAC Name: 12-[2-(4-hydroxysulfonothioylbutylsulfanyl)anilino]-12-oxododecanoic acid Traditional Name: 12-[2-(4-hydroxysulfonothioylbutylthio)anilino]-12-keto-lauric acid Formula: C22H35NO5S3 MolecularWeight: 489.712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCCCCCCCCCC(=O)O)SCCCCS(=O)(=S)O

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCCCCCCCCCC(=O)O)SCCCCS(=O)(=S)O

InChI

InChI=1S/C22H35NO5S3/c24-21(15-7-5-3-1-2-4-6-8-16-22(25)26)23-19-13-9-10-14-20(19)30-17-11-12-18-31(27,28)29/h9-10,13-14H,1-8,11-12,15-18H2,(H,23,24)(H,25,26)(H,27,28,29)