7-oxidanylidene-7-[[2-(4-oxidanylsulfonothioylbutylsulfanyl)phenyl]amino]heptanoic acid

Systemtic Name: 7-oxidanylidene-7-[[2-(4-oxidanylsulfonothioylbutylsulfanyl)phenyl]amino]heptanoic acid Openeye Name: 7-[2-(4-hydroxysulfonothioylbutylsulfanyl)anilino]-7-oxo-heptanoic acid CAS Name: 7-[2-(4-hydroxysulfonothioylbutylthio)anilino]-7-oxoheptanoic acid IUPAC Name: 7-[2-(4-hydroxysulfonothioylbutylsulfanyl)anilino]-7-oxoheptanoic acid Traditional Name: 7-[2-(4-hydroxysulfonothioylbutylthio)anilino]-7-keto-enanthic acid Formula: C17H25NO5S3 MolecularWeight: 419.5791

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO5S3/c19-16(10-2-1-3-11-17(20)21)18-14-8-4-5-9-15(14)25-12-6-7-13-26(22,23)24/h4-5,8-9H,1-3,6-7,10-13H2,(H,18,19)(H,20,21)(H,22,23,24)