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

Systemtic Name: 4-(2-methanoylphenyl)but-3-ynyl 4-methylbenzenesulfonate Openeye Name: 4-(2-formylphenyl)but-3-ynyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4-(2-formylphenyl)but-3-ynyl ester IUPAC Name: 4-(2-formylphenyl)but-3-ynyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 4-(2-formylphenyl)but-3-ynyl ester Formula: C18H16O4S MolecularWeight: 328.38224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16O4S/c1-15-9-11-18(12-10-15)23(20,21)22-13-5-4-7-16-6-2-3-8-17(16)14-19/h2-3,6,8-12,14H,5,13H2,1H3