[4-ethanoyl-2-(3-methyl-3-oxidanyl-but-1-ynyl)-5-(4-methylphenyl)sulfonyloxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-ethanoyl-2-(3-methyl-3-oxidanyl-but-1-ynyl)-5-(4-methylphenyl)sulfonyloxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-acetyl-2-(3-hydroxy-3-methyl-but-1-ynyl)-5-(p-tolylsulfonyloxy)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-acetyl-2-(3-hydroxy-3-methylbut-1-ynyl)-5-(4-methylphenyl)sulfonyloxyphenyl] ester IUPAC Name: [4-acetyl-2-(3-hydroxy-3-methylbut-1-ynyl)-5-(4-methylphenyl)sulfonyloxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-acetyl-2-(3-hydroxy-3-methyl-but-1-ynyl)-5-tosyloxy-phenyl] ester Formula: C27H26O8S2 MolecularWeight: 542.62054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2C#CC(C)(C)O)C(=O)C)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2C#CC(C)(C)O)C(=O)C)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C27H26O8S2/c1-18-6-10-22(11-7-18)36(30,31)34-25-17-26(35-37(32,33)23-12-8-19(2)9-13-23)24(20(3)28)16-21(25)14-15-27(4,5)29/h6-13,16-17,29H,1-5H3