4-(4-chlorophenyl)but-3-ynyl 4-methylbenzenesulfonate

Systemtic Name: 4-(4-chlorophenyl)but-3-ynyl 4-methylbenzenesulfonate Openeye Name: 4-(4-chlorophenyl)but-3-ynyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4-(4-chlorophenyl)but-3-ynyl ester IUPAC Name: 4-(4-chlorophenyl)but-3-ynyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 4-(4-chlorophenyl)but-3-ynyl ester Formula: C17H15ClO3S MolecularWeight: 334.8172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClO3S/c1-14-5-11-17(12-6-14)22(19,20)21-13-3-2-4-15-7-9-16(18)10-8-15/h5-12H,3,13H2,1H3