[3-(4-methylphenyl)sulfonyloxy-1-phosphono-propyl]phosphonic acid

Systemtic Name: [3-(4-methylphenyl)sulfonyloxy-1-phosphono-propyl]phosphonic acid Openeye Name: [1-phosphono-3-(p-tolylsulfonyloxy)propyl]phosphonic acid CAS Name: [3-(4-methylphenyl)sulfonyloxy-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-(4-methylphenyl)sulfonyloxy-1-phosphonopropyl]phosphonic acid Traditional Name: (1-phosphono-3-tosyloxy-propyl)phosphonic acid Formula: C10H16O9P2S MolecularWeight: 374.241162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C10H16O9P2S/c1-8-2-4-9(5-3-8)22(17,18)19-7-6-10(20(11,12)13)21(14,15)16/h2-5,10H,6-7H2,1H3,(H2,11,12,13)(H2,14,15,16)