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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16O4S/c1-15-8-10-18(11-9-15)23(20,21)22-12-3-2-5-16-6-4-7-17(13-16)14-19/h4,6-11,13-14H,3,12H2,1H3