(1-azanyl-11-phenylsulfanyl-1-phosphono-undecyl)phosphonic acid

Systemtic Name: (1-azanyl-11-phenylsulfanyl-1-phosphono-undecyl)phosphonic acid Openeye Name: (1-amino-11-phenylsulfanyl-1-phosphono-undecyl)phosphonic acid CAS Name: [1-amino-11-(phenylthio)-1-phosphonoundecyl]phosphonic acid IUPAC Name: (1-amino-11-phenylsulfanyl-1-phosphonoundecyl)phosphonic acid Traditional Name: [1-amino-11-(phenylthio)-1-phosphono-undecyl]phosphonic acid Formula: C17H31NO6P2S MolecularWeight: 439.443662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCCCCCCCCC(N)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)SCCCCCCCCCCC(N)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C17H31NO6P2S/c18-17(25(19,20)21,26(22,23)24)14-10-5-3-1-2-4-6-11-15-27-16-12-8-7-9-13-16/h7-9,12-13H,1-6,10-11,14-15,18H2,(H2,19,20,21)(H2,22,23,24)