sodium 2-(2-butoxyphenyl)sulfanyl-5-[2-(1-oxidanyldec-2-ynyl)phenyl]benzenesulfonate

Systemtic Name: sodium 2-(2-butoxyphenyl)sulfanyl-5-[2-(1-oxidanyldec-2-ynyl)phenyl]benzenesulfonate Openeye Name: sodium 2-(2-butoxyphenyl)sulfanyl-5-[2-(1-hydroxydec-2-ynyl)phenyl]benzenesulfonate CAS Name: sodium 2-[(2-butoxyphenyl)thio]-5-[2-(1-hydroxydec-2-ynyl)phenyl]benzenesulfonate IUPAC Name: sodium 2-(2-butoxyphenyl)sulfanyl-5-[2-(1-hydroxydec-2-ynyl)phenyl]benzenesulfonate Traditional Name: sodium 2-[(2-butoxyphenyl)thio]-5-[2-(1-hydroxydec-2-ynyl)phenyl]besylate Formula: C32H37NaO5S2 MolecularWeight: 588.75295

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC#CC(C1=CC=CC=C1C2=CC(=C(C=C2)SC3=CC=CC=C3OCCCC)S(=O)(=O)[O-])O.[Na+]

Isomeric SMILES

CCCCCCCC#CC(C1=CC=CC=C1C2=CC(=C(C=C2)SC3=CC=CC=C3OCCCC)S(=O)(=O)[O-])O.[Na+]

InChI

InChI=1S/C32H38O5S2.Na/c1-3-5-7-8-9-10-11-18-28(33)27-17-13-12-16-26(27)25-21-22-31(32(24-25)39(34,35)36)38-30-20-15-14-19-29(30)37-23-6-4-2;/h12-17,19-22,24,28,33H,3-10,23H2,1-2H3,(H,34,35,36);/q;+1/p-1