benzenesulfonate; nonanedioic acid

Systemtic Name: benzenesulfonate; nonanedioic acid Openeye Name: benzenesulfonate; nonanedioic acid CAS Name: benzenesulfonate; nonanedioic acid IUPAC Name: benzenesulfonate; nonanedioic acid Traditional Name: azelaic acid besylate Formula: C15H21O7S- MolecularWeight: 345.38804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H16O4.C6H6O3S/c10-8(11)6-4-2-1-3-5-7-9(12)13;7-10(8,9)6-4-2-1-3-5-6/h1-7H2,(H,10,11)(H,12,13);1-5H,(H,7,8,9)/p-1