benzenesulfonate; nonanoic acid

Systemtic Name: benzenesulfonate; nonanoic acid Openeye Name: benzenesulfonate; nonanoic acid CAS Name: benzenesulfonate; nonanoic acid IUPAC Name: benzenesulfonate; nonanoic acid Traditional Name: pelargonic acid besylate Formula: C15H23O5S- MolecularWeight: 315.40512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H18O2.C6H6O3S/c1-2-3-4-5-6-7-8-9(10)11;7-10(8,9)6-4-2-1-3-5-6/h2-8H2,1H3,(H,10,11);1-5H,(H,7,8,9)/p-1