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

Systemtic Name: [4-(4-chlorophenyl)sulfanyl-1-(methylamino)-1-phosphono-butyl]phosphonic acid Openeye Name: [4-(4-chlorophenyl)sulfanyl-1-(methylamino)-1-phosphono-butyl]phosphonic acid CAS Name: [4-[(4-chlorophenyl)thio]-1-(methylamino)-1-phosphonobutyl]phosphonic acid IUPAC Name: [4-(4-chlorophenyl)sulfanyl-1-(methylamino)-1-phosphonobutyl]phosphonic acid Traditional Name: [4-[(4-chlorophenyl)thio]-1-(methylamino)-1-phosphono-butyl]phosphonic acid Formula: C11H18ClNO6P2S MolecularWeight: 389.729242

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CCCSC1=CC=C(C=C1)Cl)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CNC(CCCSC1=CC=C(C=C1)Cl)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C11H18ClNO6P2S/c1-13-11(20(14,15)16,21(17,18)19)7-2-8-22-10-5-3-9(12)4-6-10/h3-6,13H,2,7-8H2,1H3,(H2,14,15,16)(H2,17,18,19)