4-(2-ethynylphenyl)but-3-ynyl 4-methylbenzenesulfonate

Systemtic Name: 4-(2-ethynylphenyl)but-3-ynyl 4-methylbenzenesulfonate Openeye Name: 4-(2-ethynylphenyl)but-3-ynyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4-(2-ethynylphenyl)but-3-ynyl ester IUPAC Name: 4-(2-ethynylphenyl)but-3-ynyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 4-(2-ethynylphenyl)but-3-ynyl ester Formula: C19H16O3S MolecularWeight: 324.39354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC#CC2=CC=CC=C2C#C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC#CC2=CC=CC=C2C#C

InChI

InChI=1S/C19H16O3S/c1-3-17-8-4-5-9-18(17)10-6-7-15-22-23(20,21)19-13-11-16(2)12-14-19/h1,4-5,8-9,11-14H,7,15H2,2H3