4-methylbenzenesulfonate; (E)-4-methyltridec-3-ene

Systemtic Name: 4-methylbenzenesulfonate; (E)-4-methyltridec-3-ene Openeye Name: 4-methylbenzenesulfonate; (E)-4-methyltridec-3-ene CAS Name: 4-methylbenzenesulfonate; (E)-4-methyl-3-tridecene IUPAC Name: 4-methylbenzenesulfonate; (E)-4-methyltridec-3-ene Traditional Name: (E)-4-methyltridec-3-ene tosylate Formula: C21H35O3S- MolecularWeight: 367.5658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=CCC)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCC/C(=C/CC)/C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C14H28.C7H8O3S/c1-4-6-7-8-9-10-11-13-14(3)12-5-2;1-6-2-4-7(5-3-6)11(8,9)10/h12H,4-11,13H2,1-3H3;2-5H,1H3,(H,8,9,10)/p-1/b14-12+;