dodecane; 4-methylbenzenesulfonate

Systemtic Name: dodecane; 4-methylbenzenesulfonate Openeye Name: dodecane; 4-methylbenzenesulfonate CAS Name: dodecane; 4-methylbenzenesulfonate IUPAC Name: dodecane; 4-methylbenzenesulfonate Traditional Name: dodecane tosylate Formula: C19H33O3S- MolecularWeight: 341.52852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H26.C7H8O3S/c1-3-5-7-9-11-12-10-8-6-4-2;1-6-2-4-7(5-3-6)11(8,9)10/h3-12H2,1-2H3;2-5H,1H3,(H,8,9,10)/p-1