(1-azanyl-8-phenylsulfanyl-1-phosphono-octyl)phosphonic acid

Systemtic Name: (1-azanyl-8-phenylsulfanyl-1-phosphono-octyl)phosphonic acid Openeye Name: (1-amino-8-phenylsulfanyl-1-phosphono-octyl)phosphonic acid CAS Name: [1-amino-8-(phenylthio)-1-phosphonooctyl]phosphonic acid IUPAC Name: (1-amino-8-phenylsulfanyl-1-phosphonooctyl)phosphonic acid Traditional Name: [1-amino-8-(phenylthio)-1-phosphono-octyl]phosphonic acid Formula: C14H25NO6P2S MolecularWeight: 397.363922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H25NO6P2S/c15-14(22(16,17)18,23(19,20)21)11-7-2-1-3-8-12-24-13-9-5-4-6-10-13/h4-6,9-10H,1-3,7-8,11-12,15H2,(H2,16,17,18)(H2,19,20,21)