[[4-(2-dimethylaminoethylsulfanyl)phenyl]sulfanyl-phosphono-methyl]phosphonic acid

Systemtic Name: [[4-(2-dimethylaminoethylsulfanyl)phenyl]sulfanyl-phosphono-methyl]phosphonic acid Openeye Name: [[4-(2-dimethylaminoethylsulfanyl)phenyl]sulfanyl-phosphono-methyl]phosphonic acid CAS Name: [[[4-(2-dimethylaminoethylthio)phenyl]thio]-phosphonomethyl]phosphonic acid IUPAC Name: [[4-(2-dimethylaminoethylsulfanyl)phenyl]sulfanyl-phosphonomethyl]phosphonic acid Traditional Name: [[[4-(2-dimethylaminoethylthio)phenyl]thio]-phosphono-methyl]phosphonic acid Formula: C11H19NO6P2S2 MolecularWeight: 387.349182

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC1=CC=C(C=C1)SC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CN(C)CCSC1=CC=C(C=C1)SC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C11H19NO6P2S2/c1-12(2)7-8-21-9-3-5-10(6-4-9)22-11(19(13,14)15)20(16,17)18/h3-6,11H,7-8H2,1-2H3,(H2,13,14,15)(H2,16,17,18)