12-[[3-methyl-2-(4-phosphonobutoxy)phenyl]amino]-12-oxidanylidene-dodecane-1-sulfonic acid

Systemtic Name: 12-[[3-methyl-2-(4-phosphonobutoxy)phenyl]amino]-12-oxidanylidene-dodecane-1-sulfonic acid Openeye Name: 12-[3-methyl-2-(4-phosphonobutoxy)anilino]-12-oxo-dodecane-1-sulfonic acid CAS Name: 12-[3-methyl-2-(4-phosphonobutoxy)anilino]-12-oxo-1-dodecanesulfonic acid IUPAC Name: 12-[3-methyl-2-(4-phosphonobutoxy)anilino]-12-oxododecane-1-sulfonic acid Traditional Name: 12-keto-12-[3-methyl-2-(4-phosphonobutoxy)anilino]dodecane-1-sulfonic acid Formula: C23H40NO8PS MolecularWeight: 521.604361

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CCCCCCCCCCCS(=O)(=O)O)OCCCCP(=O)(O)O

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CCCCCCCCCCCS(=O)(=O)O)OCCCCP(=O)(O)O

InChI

InChI=1S/C23H40NO8PS/c1-20-14-13-15-21(23(20)32-17-10-11-18-33(26,27)28)24-22(25)16-9-7-5-3-2-4-6-8-12-19-34(29,30)31/h13-15H,2-12,16-19H2,1H3,(H,24,25)(H2,26,27,28)(H,29,30,31)