2-(4-ethoxyphenoxy)-5-[3-(1-oxidanyltridec-2-ynyl)phenyl]benzenesulfonic acid

Systemtic Name: 2-(4-ethoxyphenoxy)-5-[3-(1-oxidanyltridec-2-ynyl)phenyl]benzenesulfonic acid Openeye Name: 2-(4-ethoxyphenoxy)-5-[3-(1-hydroxytridec-2-ynyl)phenyl]benzenesulfonic acid CAS Name: 2-(4-ethoxyphenoxy)-5-[3-(1-hydroxytridec-2-ynyl)phenyl]benzenesulfonic acid IUPAC Name: 2-(4-ethoxyphenoxy)-5-[3-(1-hydroxytridec-2-ynyl)phenyl]benzenesulfonic acid Traditional Name: 2-(4-ethoxyphenoxy)-5-[3-(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(=C1)C2=CC(=C(C=C2)OC3=CC=C(C=C3)OCC)S(=O)(=O)O)O

Isomeric SMILES

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

InChI

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