3-(4-tert-butylphenyl)prop-2-ynyl 4-methylbenzenesulfonate

Systemtic Name: 3-(4-tert-butylphenyl)prop-2-ynyl 4-methylbenzenesulfonate Openeye Name: 3-(4-tert-butylphenyl)prop-2-ynyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-(4-tert-butylphenyl)prop-2-ynyl ester IUPAC Name: 3-(4-tert-butylphenyl)prop-2-ynyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-(4-tert-butylphenyl)prop-2-ynyl ester Formula: C20H22O3S MolecularWeight: 342.45188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22O3S/c1-16-7-13-19(14-8-16)24(21,22)23-15-5-6-17-9-11-18(12-10-17)20(2,3)4/h7-14H,15H2,1-4H3