17-oxidanylidene-17-[[2-(4-oxidanylsulfonothioylbutylsulfanyl)phenyl]amino]heptadecanoic acid

Systemtic Name: 17-oxidanylidene-17-[[2-(4-oxidanylsulfonothioylbutylsulfanyl)phenyl]amino]heptadecanoic acid Openeye Name: 17-[2-(4-hydroxysulfonothioylbutylsulfanyl)anilino]-17-oxo-heptadecanoic acid CAS Name: 17-[2-(4-hydroxysulfonothioylbutylthio)anilino]-17-oxoheptadecanoic acid IUPAC Name: 17-[2-(4-hydroxysulfonothioylbutylsulfanyl)anilino]-17-oxoheptadecanoic acid Traditional Name: 17-[2-(4-hydroxysulfonothioylbutylthio)anilino]-17-keto-heptadecanoic acid Formula: C27H45NO5S3 MolecularWeight: 559.8449

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H45NO5S3/c29-26(28-24-18-14-15-19-25(24)35-22-16-17-23-36(32,33)34)20-12-10-8-6-4-2-1-3-5-7-9-11-13-21-27(30)31/h14-15,18-19H,1-13,16-17,20-23H2,(H,28,29)(H,30,31)(H,32,33,34)