8-(2-methylphenyl)-1-phosphono-octane-1-sulfonic acid

Systemtic Name: 8-(2-methylphenyl)-1-phosphono-octane-1-sulfonic acid Openeye Name: 8-(o-tolyl)-1-phosphono-octane-1-sulfonic acid CAS Name: 8-(2-methylphenyl)-1-phosphono-1-octanesulfonic acid IUPAC Name: 8-(2-methylphenyl)-1-phosphonooctane-1-sulfonic acid Traditional Name: 8-(o-tolyl)-1-phosphono-octane-1-sulfonic acid Formula: C15H25O6PS MolecularWeight: 364.394161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCCCCCCC(P(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC=CC=C1CCCCCCCC(P(=O)(O)O)S(=O)(=O)O

InChI

InChI=1S/C15H25O6PS/c1-13-9-7-8-11-14(13)10-5-3-2-4-6-12-15(22(16,17)18)23(19,20)21/h7-9,11,15H,2-6,10,12H2,1H3,(H2,16,17,18)(H,19,20,21)