(E)-6-methyl-8-(2-methylphenyl)-1-phosphono-oct-5-ene-1-sulfonic acid

Systemtic Name: (E)-6-methyl-8-(2-methylphenyl)-1-phosphono-oct-5-ene-1-sulfonic acid Openeye Name: (E)-6-methyl-8-(o-tolyl)-1-phosphono-oct-5-ene-1-sulfonic acid CAS Name: (E)-6-methyl-8-(2-methylphenyl)-1-phosphono-5-octene-1-sulfonic acid IUPAC Name: (E)-6-methyl-8-(2-methylphenyl)-1-phosphonooct-5-ene-1-sulfonic acid Traditional Name: (E)-6-methyl-8-(o-tolyl)-1-phosphono-oct-5-ene-1-sulfonic acid Formula: C16H25O6PS MolecularWeight: 376.404861

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCC(=CCCCC(P(=O)(O)O)S(=O)(=O)O)C

Isomeric SMILES

CC1=CC=CC=C1CC/C(=C/CCCC(P(=O)(O)O)S(=O)(=O)O)/C

InChI

InChI=1S/C16H25O6PS/c1-13(11-12-15-9-5-4-8-14(15)2)7-3-6-10-16(23(17,18)19)24(20,21)22/h4-5,7-9,16H,3,6,10-12H2,1-2H3,(H2,17,18,19)(H,20,21,22)/b13-7+