[1-azanyl-11-(phenylsulfinyl)-1-phosphono-undecyl]phosphonic acid

Systemtic Name: [1-azanyl-11-(phenylsulfinyl)-1-phosphono-undecyl]phosphonic acid Openeye Name: [1-amino-11-(benzenesulfinyl)-1-phosphono-undecyl]phosphonic acid CAS Name: [1-amino-11-(benzenesulfinyl)-1-phosphonoundecyl]phosphonic acid IUPAC Name: [1-amino-11-(benzenesulfinyl)-1-phosphonoundecyl]phosphonic acid Traditional Name: [1-amino-11-(benzenesulfinyl)-1-phosphono-undecyl]phosphonic acid Formula: C17H31NO7P2S MolecularWeight: 455.443062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)CCCCCCCCCCC(N)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)CCCCCCCCCCC(N)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C17H31NO7P2S/c18-17(26(19,20)21,27(22,23)24)14-10-5-3-1-2-4-6-11-15-28(25)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)