[3-[3-(4-chlorophenyl)sulfanylpropyl-methyl-amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid

Systemtic Name: [3-[3-(4-chlorophenyl)sulfanylpropyl-methyl-amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [3-[3-(4-chlorophenyl)sulfanylpropyl-methyl-amino]-1-hydroxy-1-phosphono-propyl]phosphonic acid CAS Name: [3-[3-[(4-chlorophenyl)thio]propyl-methylamino]-1-hydroxy-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-[3-(4-chlorophenyl)sulfanylpropyl-methylamino]-1-hydroxy-1-phosphonopropyl]phosphonic acid Traditional Name: [3-[3-[(4-chlorophenyl)thio]propyl-methyl-amino]-1-hydroxy-1-phosphono-propyl]phosphonic acid Formula: C13H22ClNO7P2S MolecularWeight: 433.781802

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCSC1=CC=C(C=C1)Cl)CCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CN(CCCSC1=CC=C(C=C1)Cl)CCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C13H22ClNO7P2S/c1-15(8-2-10-25-12-5-3-11(14)4-6-12)9-7-13(16,23(17,18)19)24(20,21)22/h3-6,16H,2,7-10H2,1H3,(H2,17,18,19)(H2,20,21,22)