2-(4-methoxyphenyl)sulfanyl-5-[2-(1-oxidanyltridec-2-ynyl)phenyl]benzenesulfonic acid

Systemtic Name: 2-(4-methoxyphenyl)sulfanyl-5-[2-(1-oxidanyltridec-2-ynyl)phenyl]benzenesulfonic acid Openeye Name: 5-[2-(1-hydroxytridec-2-ynyl)phenyl]-2-(4-methoxyphenyl)sulfanyl-benzenesulfonic acid CAS Name: 5-[2-(1-hydroxytridec-2-ynyl)phenyl]-2-[(4-methoxyphenyl)thio]benzenesulfonic acid IUPAC Name: 5-[2-(1-hydroxytridec-2-ynyl)phenyl]-2-(4-methoxyphenyl)sulfanylbenzenesulfonic acid Traditional Name: 5-[2-(1-hydroxytridec-2-ynyl)phenyl]-2-[(4-methoxyphenyl)thio]besylic acid Formula: C32H38O5S2 MolecularWeight: 566.77112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CC(C1=CC=CC=C1C2=CC(=C(C=C2)SC3=CC=C(C=C3)OC)S(=O)(=O)O)O

Isomeric SMILES

CCCCCCCCCCC#CC(C1=CC=CC=C1C2=CC(=C(C=C2)SC3=CC=C(C=C3)OC)S(=O)(=O)O)O

InChI

InChI=1S/C32H38O5S2/c1-3-4-5-6-7-8-9-10-11-12-17-30(33)29-16-14-13-15-28(29)25-18-23-31(32(24-25)39(34,35)36)38-27-21-19-26(37-2)20-22-27/h13-16,18-24,30,33H,3-11H2,1-2H3,(H,34,35,36)