(E)-6-methyl-8-(3-methylphenyl)-1-phosphono-oct-5-ene-1-sulfonic acid

Systemtic Name: (E)-6-methyl-8-(3-methylphenyl)-1-phosphono-oct-5-ene-1-sulfonic acid Openeye Name: (E)-6-methyl-8-(m-tolyl)-1-phosphono-oct-5-ene-1-sulfonic acid CAS Name: (E)-6-methyl-8-(3-methylphenyl)-1-phosphono-5-octene-1-sulfonic acid IUPAC Name: (E)-6-methyl-8-(3-methylphenyl)-1-phosphonooct-5-ene-1-sulfonic acid Traditional Name: (E)-6-methyl-8-(m-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=C1)CCC(=CCCCC(P(=O)(O)O)S(=O)(=O)O)C

Isomeric SMILES

CC1=CC(=CC=C1)CC/C(=C/CCCC(P(=O)(O)O)S(=O)(=O)O)/C

InChI

InChI=1S/C16H25O6PS/c1-13(10-11-15-8-5-7-14(2)12-15)6-3-4-9-16(23(17,18)19)24(20,21)22/h5-8,12,16H,3-4,9-11H2,1-2H3,(H2,17,18,19)(H,20,21,22)/b13-6+