sodium 4-propylbenzenesulfonate

Systemtic Name: sodium 4-propylbenzenesulfonate Openeye Name: sodium 4-propylbenzenesulfonate CAS Name: sodium 4-propylbenzenesulfonate IUPAC Name: sodium 4-propylbenzenesulfonate Traditional Name: sodium 4-propylbesylate Formula: C9H11NaO3S MolecularWeight: 222.23661

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C9H12O3S.Na/c1-2-3-8-4-6-9(7-5-8)13(10,11)12;/h4-7H,2-3H2,1H3,(H,10,11,12);/q;+1/p-1