sodium 2-(2-butylphenyl)-6-oxidanyl-benzenesulfonate

Systemtic Name: sodium 2-(2-butylphenyl)-6-oxidanyl-benzenesulfonate Openeye Name: sodium 2-(2-butylphenyl)-6-hydroxy-benzenesulfonate CAS Name: sodium 2-(2-butylphenyl)-6-hydroxybenzenesulfonate IUPAC Name: sodium 2-(2-butylphenyl)-6-hydroxybenzenesulfonate Traditional Name: sodium 2-(2-butylphenyl)-6-hydroxy-besylate Formula: C16H17NaO4S MolecularWeight: 328.35855

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1C2=C(C(=CC=C2)O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCC1=CC=CC=C1C2=C(C(=CC=C2)O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C16H18O4S.Na/c1-2-3-7-12-8-4-5-9-13(12)14-10-6-11-15(17)16(14)21(18,19)20;/h4-6,8-11,17H,2-3,7H2,1H3,(H,18,19,20);/q;+1/p-1