4-methylbenzenesulfonate; 2-methylhexane-1,2-diol

Systemtic Name: 4-methylbenzenesulfonate; 2-methylhexane-1,2-diol Openeye Name: 4-methylbenzenesulfonate; 2-methylhexane-1,2-diol CAS Name: 4-methylbenzenesulfonate; 2-methylhexane-1,2-diol IUPAC Name: 4-methylbenzenesulfonate; 2-methylhexane-1,2-diol Traditional Name: 2-methylhexane-1,2-diol tosylate Formula: C14H23O5S- MolecularWeight: 303.39442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C7H16O2/c1-6-2-4-7(5-3-6)11(8,9)10;1-3-4-5-7(2,9)6-8/h2-5H,1H3,(H,8,9,10);8-9H,3-6H2,1-2H3/p-1