[[6-[(4-methoxyphenyl)methylsulfanyl]hexylamino]-phosphono-methyl]phosphonic acid

Systemtic Name: [[6-[(4-methoxyphenyl)methylsulfanyl]hexylamino]-phosphono-methyl]phosphonic acid Openeye Name: [[6-[(4-methoxyphenyl)methylsulfanyl]hexylamino]-phosphono-methyl]phosphonic acid CAS Name: [[6-[(4-methoxyphenyl)methylthio]hexylamino]-phosphonomethyl]phosphonic acid IUPAC Name: [[6-[(4-methoxyphenyl)methylsulfanyl]hexylamino]-phosphonomethyl]phosphonic acid Traditional Name: [[6-(p-anisylthio)hexylamino]-phosphono-methyl]phosphonic acid Formula: C15H27NO7P2S MolecularWeight: 427.389902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSCCCCCCNC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

COC1=CC=C(C=C1)CSCCCCCCNC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C15H27NO7P2S/c1-23-14-8-6-13(7-9-14)12-26-11-5-3-2-4-10-16-15(24(17,18)19)25(20,21)22/h6-9,15-16H,2-5,10-12H2,1H3,(H2,17,18,19)(H2,20,21,22)