2-(3-ethoxyphenoxy)-5-[2-(1-oxidanyltridec-2-ynyl)phenyl]benzenesulfonic acid

Systemtic Name: 2-(3-ethoxyphenoxy)-5-[2-(1-oxidanyltridec-2-ynyl)phenyl]benzenesulfonic acid Openeye Name: 2-(3-ethoxyphenoxy)-5-[2-(1-hydroxytridec-2-ynyl)phenyl]benzenesulfonic acid CAS Name: 2-(3-ethoxyphenoxy)-5-[2-(1-hydroxytridec-2-ynyl)phenyl]benzenesulfonic acid IUPAC Name: 2-(3-ethoxyphenoxy)-5-[2-(1-hydroxytridec-2-ynyl)phenyl]benzenesulfonic acid Traditional Name: 2-(3-ethoxyphenoxy)-5-[2-(1-hydroxytridec-2-ynyl)phenyl]besylic acid Formula: C33H40O6S MolecularWeight: 564.7321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CC(C1=CC=CC=C1C2=CC(=C(C=C2)OC3=CC(=CC=C3)OCC)S(=O)(=O)O)O

Isomeric SMILES

CCCCCCCCCCC#CC(C1=CC=CC=C1C2=CC(=C(C=C2)OC3=CC(=CC=C3)OCC)S(=O)(=O)O)O

InChI

InChI=1S/C33H40O6S/c1-3-5-6-7-8-9-10-11-12-13-21-31(34)30-20-15-14-19-29(30)26-22-23-32(33(24-26)40(35,36)37)39-28-18-16-17-27(25-28)38-4-2/h14-20,22-25,31,34H,3-12H2,1-2H3,(H,35,36,37)