sodium 2-(4-butoxyphenyl)sulfanyl-5-[2-[1-oxidanyl-4-(9-oxidanylnonoxy)but-2-ynyl]phenyl]benzenesulfonate

Systemtic Name: sodium 2-(4-butoxyphenyl)sulfanyl-5-[2-[1-oxidanyl-4-(9-oxidanylnonoxy)but-2-ynyl]phenyl]benzenesulfonate Openeye Name: sodium 2-(4-butoxyphenyl)sulfanyl-5-[2-[1-hydroxy-4-(9-hydroxynonoxy)but-2-ynyl]phenyl]benzenesulfonate CAS Name: sodium 2-[(4-butoxyphenyl)thio]-5-[2-[1-hydroxy-4-(9-hydroxynonoxy)but-2-ynyl]phenyl]benzenesulfonate IUPAC Name: sodium 2-(4-butoxyphenyl)sulfanyl-5-[2-[1-hydroxy-4-(9-hydroxynonoxy)but-2-ynyl]phenyl]benzenesulfonate Traditional Name: sodium 2-[(4-butoxyphenyl)thio]-5-[2-[1-hydroxy-4-(9-hydroxynonoxy)but-2-ynyl]phenyl]besylate Formula: C35H43NaO7S2 MolecularWeight: 662.83149

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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#CCOCCCCCCCCCO)O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)SC2=C(C=C(C=C2)C3=CC=CC=C3C(C#CCOCCCCCCCCCO)O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C35H44O7S2.Na/c1-2-3-26-42-29-18-20-30(21-19-29)43-34-22-17-28(27-35(34)44(38,39)40)31-14-9-10-15-32(31)33(37)16-13-25-41-24-12-8-6-4-5-7-11-23-36;/h9-10,14-15,17-22,27,33,36-37H,2-8,11-12,23-26H2,1H3,(H,38,39,40);/q;+1/p-1