8-oxidanylidene-8-[[2-(4-oxidanylsulfonothioylbutoxy)phenyl]amino]octanoic acid

Systemtic Name: 8-oxidanylidene-8-[[2-(4-oxidanylsulfonothioylbutoxy)phenyl]amino]octanoic acid Openeye Name: 8-[2-(4-hydroxysulfonothioylbutoxy)anilino]-8-oxo-octanoic acid CAS Name: 8-[2-(4-hydroxysulfonothioylbutoxy)anilino]-8-oxooctanoic acid IUPAC Name: 8-[2-(4-hydroxysulfonothioylbutoxy)anilino]-8-oxooctanoic acid Traditional Name: 8-[2-(4-hydroxysulfonothioylbutoxy)anilino]-8-keto-caprylic acid Formula: C18H27NO6S2 MolecularWeight: 417.54008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCCCCCC(=O)O)OCCCCS(=O)(=S)O

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCCCCCC(=O)O)OCCCCS(=O)(=S)O

InChI

InChI=1S/C18H27NO6S2/c20-17(11-3-1-2-4-12-18(21)22)19-15-9-5-6-10-16(15)25-13-7-8-14-27(23,24)26/h5-6,9-10H,1-4,7-8,11-14H2,(H,19,20)(H,21,22)(H,23,24,26)