benzenesulfonate; dodecane

Systemtic Name: benzenesulfonate; dodecane Openeye Name: benzenesulfonate; dodecane CAS Name: benzenesulfonate; dodecane IUPAC Name: benzenesulfonate; dodecane Traditional Name: dodecane besylate Formula: C18H31O3S- MolecularWeight: 327.50194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H26.C6H6O3S/c1-3-5-7-9-11-12-10-8-6-4-2;7-10(8,9)6-4-2-1-3-5-6/h3-12H2,1-2H3;1-5H,(H,7,8,9)/p-1