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

Systemtic Name: 5-[2-(1-oxidanyltridec-2-ynyl)phenyl]-2-(4-propoxyphenyl)sulfanyl-benzenesulfonic acid Openeye Name: 5-[2-(1-hydroxytridec-2-ynyl)phenyl]-2-(4-propoxyphenyl)sulfanyl-benzenesulfonic acid CAS Name: 5-[2-(1-hydroxytridec-2-ynyl)phenyl]-2-[(4-propoxyphenyl)thio]benzenesulfonic acid IUPAC Name: 5-[2-(1-hydroxytridec-2-ynyl)phenyl]-2-(4-propoxyphenyl)sulfanylbenzenesulfonic acid Traditional Name: 5-[2-(1-hydroxytridec-2-ynyl)phenyl]-2-[(4-propoxyphenyl)thio]besylic acid Formula: C34H42O5S2 MolecularWeight: 594.82428

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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)OCCC)S(=O)(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C34H42O5S2/c1-3-5-6-7-8-9-10-11-12-13-18-32(35)31-17-15-14-16-30(31)27-19-24-33(34(26-27)41(36,37)38)40-29-22-20-28(21-23-29)39-25-4-2/h14-17,19-24,26,32,35H,3-12,25H2,1-2H3,(H,36,37,38)