13-oxidanylidene-13-[[2-(4-oxidanylsulfonothioylbutoxy)phenyl]amino]tridecanoic acid

Systemtic Name: 13-oxidanylidene-13-[[2-(4-oxidanylsulfonothioylbutoxy)phenyl]amino]tridecanoic acid Openeye Name: 13-[2-(4-hydroxysulfonothioylbutoxy)anilino]-13-oxo-tridecanoic acid CAS Name: 13-[2-(4-hydroxysulfonothioylbutoxy)anilino]-13-oxotridecanoic acid IUPAC Name: 13-[2-(4-hydroxysulfonothioylbutoxy)anilino]-13-oxotridecanoic acid Traditional Name: 13-[2-(4-hydroxysulfonothioylbutoxy)anilino]-13-keto-tridecanoic acid Formula: C23H37NO6S2 MolecularWeight: 487.67298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H37NO6S2/c25-22(16-8-6-4-2-1-3-5-7-9-17-23(26)27)24-20-14-10-11-15-21(20)30-18-12-13-19-32(28,29)31/h10-11,14-15H,1-9,12-13,16-19H2,(H,24,25)(H,26,27)(H,28,29,31)