(1-azanyl-12-phenylsulfanyl-1-phosphono-dodecan-2-yl)phosphonic acid

Systemtic Name: (1-azanyl-12-phenylsulfanyl-1-phosphono-dodecan-2-yl)phosphonic acid Openeye Name: (1-amino-12-phenylsulfanyl-2-phosphono-dodecyl)phosphonic acid CAS Name: [1-amino-12-(phenylthio)-1-phosphonododecan-2-yl]phosphonic acid IUPAC Name: (1-amino-12-phenylsulfanyl-1-phosphonododecan-2-yl)phosphonic acid Traditional Name: [1-amino-12-(phenylthio)-2-phosphono-dodecyl]phosphonic acid Formula: C18H33NO6P2S MolecularWeight: 453.470242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H33NO6P2S/c19-18(27(23,24)25)17(26(20,21)22)14-10-5-3-1-2-4-6-11-15-28-16-12-8-7-9-13-16/h7-9,12-13,17-18H,1-6,10-11,14-15,19H2,(H2,20,21,22)(H2,23,24,25)