4-methylbenzenesulfonate; nonane

Systemtic Name: 4-methylbenzenesulfonate; nonane Openeye Name: 4-methylbenzenesulfonate; nonane CAS Name: 4-methylbenzenesulfonate; nonane IUPAC Name: 4-methylbenzenesulfonate; nonane Traditional Name: nonane ditosylate Formula: C23H34O6S2-2 MolecularWeight: 470.64246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H20.2C7H8O3S/c1-3-5-7-9-8-6-4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-9H2,1-2H3;2*2-5H,1H3,(H,8,9,10)/p-2