sodium 4-(5-phenylhexan-3-yl)benzenesulfonate

Systemtic Name: sodium 4-(5-phenylhexan-3-yl)benzenesulfonate Openeye Name: sodium 4-(1-ethyl-3-phenyl-butyl)benzenesulfonate CAS Name: sodium 4-(5-phenylhexan-3-yl)benzenesulfonate IUPAC Name: sodium 4-(5-phenylhexan-3-yl)benzenesulfonate Traditional Name: sodium 4-(1-ethyl-3-phenyl-butyl)besylate Formula: C18H21NaO3S MolecularWeight: 340.41231

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)C1=CC=CC=C1)C2=CC=C(C=C2)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCC(CC(C)C1=CC=CC=C1)C2=CC=C(C=C2)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H22O3S.Na/c1-3-15(13-14(2)16-7-5-4-6-8-16)17-9-11-18(12-10-17)22(19,20)21;/h4-12,14-15H,3,13H2,1-2H3,(H,19,20,21);/q;+1/p-1