[1-azanyl-10-(phenylsulfinyl)-1-phosphono-decyl]phosphonic acid

Systemtic Name: [1-azanyl-10-(phenylsulfinyl)-1-phosphono-decyl]phosphonic acid Openeye Name: [1-amino-10-(benzenesulfinyl)-1-phosphono-decyl]phosphonic acid CAS Name: [1-amino-10-(benzenesulfinyl)-1-phosphonodecyl]phosphonic acid IUPAC Name: [1-amino-10-(benzenesulfinyl)-1-phosphonodecyl]phosphonic acid Traditional Name: [1-amino-10-(benzenesulfinyl)-1-phosphono-decyl]phosphonic acid Formula: C16H29NO7P2S MolecularWeight: 441.416482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H29NO7P2S/c17-16(25(18,19)20,26(21,22)23)13-9-4-2-1-3-5-10-14-27(24)15-11-7-6-8-12-15/h6-8,11-12H,1-5,9-10,13-14,17H2,(H2,18,19,20)(H2,21,22,23)