tert-butyl 2-methyl-3-[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonyl-propanoate

Systemtic Name: tert-butyl 2-methyl-3-[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonyl-propanoate Openeye Name: tert-butyl 2-methyl-3-[4-[2-(p-tolyl)ethynyl]phenyl]sulfonyl-propanoate CAS Name: 2-methyl-3-[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-methyl-3-[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonylpropanoate Traditional Name: 2-methyl-3-[4-[2-(p-tolyl)ethynyl]phenyl]sulfonyl-propionic acid tert-butyl ester Formula: C23H26O4S MolecularWeight: 398.51514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CC2=CC=C(C=C2)S(=O)(=O)CC(C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C#CC2=CC=C(C=C2)S(=O)(=O)CC(C)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H26O4S/c1-17-6-8-19(9-7-17)10-11-20-12-14-21(15-13-20)28(25,26)16-18(2)22(24)27-23(3,4)5/h6-9,12-15,18H,16H2,1-5H3