12-[[4-ethyl-2-(4-phosphonobutoxy)phenyl]amino]-12-oxidanylidene-dodecane-1-sulfinic acid

Systemtic Name: 12-[[4-ethyl-2-(4-phosphonobutoxy)phenyl]amino]-12-oxidanylidene-dodecane-1-sulfinic acid Openeye Name: 12-[4-ethyl-2-(4-phosphonobutoxy)anilino]-12-oxo-dodecane-1-sulfinic acid CAS Name: 12-[4-ethyl-2-(4-phosphonobutoxy)anilino]-12-oxo-1-dodecanesulfinic acid IUPAC Name: 12-[4-ethyl-2-(4-phosphonobutoxy)anilino]-12-oxododecane-1-sulfinic acid Traditional Name: 12-[4-ethyl-2-(4-phosphonobutoxy)anilino]-12-keto-dodecane-1-sulfinic acid Formula: C24H42NO7PS MolecularWeight: 519.631541

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)NC(=O)CCCCCCCCCCCS(=O)O)OCCCCP(=O)(O)O

Isomeric SMILES

CCC1=CC(=C(C=C1)NC(=O)CCCCCCCCCCCS(=O)O)OCCCCP(=O)(O)O

InChI

InChI=1S/C24H42NO7PS/c1-2-21-15-16-22(23(20-21)32-17-11-12-18-33(27,28)29)25-24(26)14-10-8-6-4-3-5-7-9-13-19-34(30)31/h15-16,20H,2-14,17-19H2,1H3,(H,25,26)(H,30,31)(H2,27,28,29)