3-(4-methylphenyl)-1,5,6-tris(oxidanyl)hexane-3-sulfonate

Systemtic Name: 3-(4-methylphenyl)-1,5,6-tris(oxidanyl)hexane-3-sulfonate Openeye Name: 1,5,6-trihydroxy-3-(p-tolyl)hexane-3-sulfonate CAS Name: 1,5,6-trihydroxy-3-(4-methylphenyl)-3-hexanesulfonate IUPAC Name: 1,5,6-trihydroxy-3-(4-methylphenyl)hexane-3-sulfonate Traditional Name: 1,5,6-trihydroxy-3-(p-tolyl)hexane-3-sulfonate Formula: C13H19O6S- MolecularWeight: 303.35136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CCO)(CC(CO)O)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(CCO)(CC(CO)O)S(=O)(=O)[O-]

InChI

InChI=1S/C13H20O6S/c1-10-2-4-11(5-3-10)13(6-7-14,20(17,18)19)8-12(16)9-15/h2-5,12,14-16H,6-9H2,1H3,(H,17,18,19)/p-1