sodium 2-heptyl-6-phenyl-benzenesulfonate

Systemtic Name: sodium 2-heptyl-6-phenyl-benzenesulfonate Openeye Name: sodium 2-heptyl-6-phenyl-benzenesulfonate CAS Name: sodium 2-heptyl-6-phenylbenzenesulfonate IUPAC Name: sodium 2-heptyl-6-phenylbenzenesulfonate Traditional Name: sodium 2-heptyl-6-phenyl-besylate Formula: C19H23NaO3S MolecularWeight: 354.43889

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=CC(=C1S(=O)(=O)[O-])C2=CC=CC=C2.[Na+]

Isomeric SMILES

CCCCCCCC1=CC=CC(=C1S(=O)(=O)[O-])C2=CC=CC=C2.[Na+]

InChI

InChI=1S/C19H24O3S.Na/c1-2-3-4-5-7-13-17-14-10-15-18(19(17)23(20,21)22)16-11-8-6-9-12-16;/h6,8-12,14-15H,2-5,7,13H2,1H3,(H,20,21,22);/q;+1/p-1