5-[2-[1,13-bis(oxidanyl)tridec-2-ynyl]phenyl]-2-(4-butoxyphenyl)sulfanyl-benzenesulfonate

Systemtic Name: 5-[2-[1,13-bis(oxidanyl)tridec-2-ynyl]phenyl]-2-(4-butoxyphenyl)sulfanyl-benzenesulfonate Openeye Name: 2-(4-butoxyphenyl)sulfanyl-5-[2-(1,13-dihydroxytridec-2-ynyl)phenyl]benzenesulfonate CAS Name: 2-[(4-butoxyphenyl)thio]-5-[2-(1,13-dihydroxytridec-2-ynyl)phenyl]benzenesulfonate IUPAC Name: 2-(4-butoxyphenyl)sulfanyl-5-[2-(1,13-dihydroxytridec-2-ynyl)phenyl]benzenesulfonate Traditional Name: 2-[(4-butoxyphenyl)thio]-5-[2-(1,13-dihydroxytridec-2-ynyl)phenyl]besylate Formula: C35H43O6S2- MolecularWeight: 623.84232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)SC2=C(C=C(C=C2)C3=CC=CC=C3C(C#CCCCCCCCCCCO)O)S(=O)(=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)SC2=C(C=C(C=C2)C3=CC=CC=C3C(C#CCCCCCCCCCCO)O)S(=O)(=O)[O-]

InChI

InChI=1S/C35H44O6S2/c1-2-3-26-41-29-20-22-30(23-21-29)42-34-24-19-28(27-35(34)43(38,39)40)31-16-13-14-17-32(31)33(37)18-12-10-8-6-4-5-7-9-11-15-25-36/h13-14,16-17,19-24,27,33,36-37H,2-11,15,25-26H2,1H3,(H,38,39,40)/p-1