benzene; methanesulfonic acid; octane

Systemtic Name: benzene; methanesulfonic acid; octane Openeye Name: benzene; methanesulfonic acid; octane CAS Name: benzene; methanesulfonic acid; octane IUPAC Name: benzene; methanesulfonic acid; octane Traditional Name: benzene; mesylic acid; n-octane Formula: C15H28O3S MolecularWeight: 288.44602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC.CS(=O)(=O)O.C1=CC=CC=C1

Isomeric SMILES

CCCCCCCC.CS(=O)(=O)O.C1=CC=CC=C1

InChI

InChI=1S/C8H18.C6H6.CH4O3S/c1-3-5-7-8-6-4-2;1-2-4-6-5-3-1;1-5(2,3)4/h3-8H2,1-2H3;1-6H;1H3,(H,2,3,4)