18-oxidanylidene-18-[[2-(4-oxidanylsulfonothioylbutoxy)phenyl]amino]octadecanoic acid

Systemtic Name: 18-oxidanylidene-18-[[2-(4-oxidanylsulfonothioylbutoxy)phenyl]amino]octadecanoic acid Openeye Name: 18-[2-(4-hydroxysulfonothioylbutoxy)anilino]-18-oxo-octadecanoic acid CAS Name: 18-[2-(4-hydroxysulfonothioylbutoxy)anilino]-18-oxooctadecanoic acid IUPAC Name: 18-[2-(4-hydroxysulfonothioylbutoxy)anilino]-18-oxooctadecanoic acid Traditional Name: 18-[2-(4-hydroxysulfonothioylbutoxy)anilino]-18-keto-stearic acid Formula: C28H47NO6S2 MolecularWeight: 557.80588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H47NO6S2/c30-27(29-25-19-15-16-20-26(25)35-23-17-18-24-37(33,34)36)21-13-11-9-7-5-3-1-2-4-6-8-10-12-14-22-28(31)32/h15-16,19-20H,1-14,17-18,21-24H2,(H,29,30)(H,31,32)(H,33,34,36)