sodium 2-(4-ethoxyphenoxy)-5-[2-(1-oxidanyltridec-2-ynyl)thiophen-3-yl]benzenesulfonate

Systemtic Name: sodium 2-(4-ethoxyphenoxy)-5-[2-(1-oxidanyltridec-2-ynyl)thiophen-3-yl]benzenesulfonate Openeye Name: sodium 2-(4-ethoxyphenoxy)-5-[2-(1-hydroxytridec-2-ynyl)-3-thienyl]benzenesulfonate CAS Name: sodium 2-(4-ethoxyphenoxy)-5-[2-(1-hydroxytridec-2-ynyl)-3-thiophenyl]benzenesulfonate IUPAC Name: sodium 2-(4-ethoxyphenoxy)-5-[2-(1-hydroxytridec-2-ynyl)thiophen-3-yl]benzenesulfonate Traditional Name: sodium 2-(4-ethoxyphenoxy)-5-[2-(1-hydroxytridec-2-ynyl)-3-thienyl]besylate Formula: C31H37NaO6S2 MolecularWeight: 592.74165

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CC(C1=C(C=CS1)C2=CC(=C(C=C2)OC3=CC=C(C=C3)OCC)S(=O)(=O)[O-])O.[Na+]

Isomeric SMILES

CCCCCCCCCCC#CC(C1=C(C=CS1)C2=CC(=C(C=C2)OC3=CC=C(C=C3)OCC)S(=O)(=O)[O-])O.[Na+]

InChI

InChI=1S/C31H38O6S2.Na/c1-3-5-6-7-8-9-10-11-12-13-14-28(32)31-27(21-22-38-31)24-15-20-29(30(23-24)39(33,34)35)37-26-18-16-25(17-19-26)36-4-2;/h15-23,28,32H,3-12H2,1-2H3,(H,33,34,35);/q;+1/p-1