2-(4-butoxyphenyl)sulfanyl-5-[2-[1-oxidanyl-4-(3-oxidanylpropoxy)but-2-ynyl]phenyl]benzenesulfonic acid

Systemtic Name: 2-(4-butoxyphenyl)sulfanyl-5-[2-[1-oxidanyl-4-(3-oxidanylpropoxy)but-2-ynyl]phenyl]benzenesulfonic acid Openeye Name: 2-(4-butoxyphenyl)sulfanyl-5-[2-[1-hydroxy-4-(3-hydroxypropoxy)but-2-ynyl]phenyl]benzenesulfonic acid CAS Name: 2-[(4-butoxyphenyl)thio]-5-[2-[1-hydroxy-4-(3-hydroxypropoxy)but-2-ynyl]phenyl]benzenesulfonic acid IUPAC Name: 2-(4-butoxyphenyl)sulfanyl-5-[2-[1-hydroxy-4-(3-hydroxypropoxy)but-2-ynyl]phenyl]benzenesulfonic acid Traditional Name: 2-[(4-butoxyphenyl)thio]-5-[2-[1-hydroxy-4-(3-hydroxypropoxy)but-2-ynyl]phenyl]besylic acid Formula: C29H32O7S2 MolecularWeight: 556.69018

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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#CCOCCCO)O)S(=O)(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)SC2=C(C=C(C=C2)C3=CC=CC=C3C(C#CCOCCCO)O)S(=O)(=O)O

InChI

InChI=1S/C29H32O7S2/c1-2-3-20-36-23-12-14-24(15-13-23)37-28-16-11-22(21-29(28)38(32,33)34)25-8-4-5-9-26(25)27(31)10-6-18-35-19-7-17-30/h4-5,8-9,11-16,21,27,30-31H,2-3,7,17-20H2,1H3,(H,32,33,34)