[4-(4-chlorophenyl)sulfinyl-1-(methylamino)-1-phosphono-butyl]phosphonic acid

Systemtic Name: [4-(4-chlorophenyl)sulfinyl-1-(methylamino)-1-phosphono-butyl]phosphonic acid Openeye Name: [4-(4-chlorophenyl)sulfinyl-1-(methylamino)-1-phosphono-butyl]phosphonic acid CAS Name: [4-(4-chlorophenyl)sulfinyl-1-(methylamino)-1-phosphonobutyl]phosphonic acid IUPAC Name: [4-(4-chlorophenyl)sulfinyl-1-(methylamino)-1-phosphonobutyl]phosphonic acid Traditional Name: [4-(4-chlorophenyl)sulfinyl-1-(methylamino)-1-phosphono-butyl]phosphonic acid Formula: C11H18ClNO7P2S MolecularWeight: 405.728642

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CCCS(=O)C1=CC=C(C=C1)Cl)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CNC(CCCS(=O)C1=CC=C(C=C1)Cl)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C11H18ClNO7P2S/c1-13-11(21(14,15)16,22(17,18)19)7-2-8-23(20)10-5-3-9(12)4-6-10/h3-6,13H,2,7-8H2,1H3,(H2,14,15,16)(H2,17,18,19)