(1-azanyl-9-phenylsulfanyl-1-phosphono-nonan-2-yl)phosphonic acid

Systemtic Name: (1-azanyl-9-phenylsulfanyl-1-phosphono-nonan-2-yl)phosphonic acid Openeye Name: (1-amino-9-phenylsulfanyl-2-phosphono-nonyl)phosphonic acid CAS Name: [1-amino-9-(phenylthio)-1-phosphonononan-2-yl]phosphonic acid IUPAC Name: (1-amino-9-phenylsulfanyl-1-phosphonononan-2-yl)phosphonic acid Traditional Name: [1-amino-9-(phenylthio)-2-phosphono-nonyl]phosphonic acid Formula: C15H27NO6P2S MolecularWeight: 411.390502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H27NO6P2S/c16-15(24(20,21)22)14(23(17,18)19)11-7-2-1-3-8-12-25-13-9-5-4-6-10-13/h4-6,9-10,14-15H,1-3,7-8,11-12,16H2,(H2,17,18,19)(H2,20,21,22)