[2-(4,4-diethoxybut-2-ynoxy)phenyl]methyl 4-methylbenzenesulfonate

Systemtic Name: [2-(4,4-diethoxybut-2-ynoxy)phenyl]methyl 4-methylbenzenesulfonate Openeye Name: [2-(4,4-diethoxybut-2-ynoxy)phenyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(4,4-diethoxybut-2-ynoxy)phenyl]methyl ester IUPAC Name: [2-(4,4-diethoxybut-2-ynoxy)phenyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(4,4-diethoxybut-2-ynoxy)benzyl] ester Formula: C22H26O6S MolecularWeight: 418.50324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C#CCOC1=CC=CC=C1COS(=O)(=O)C2=CC=C(C=C2)C)OCC

Isomeric SMILES

CCOC(C#CCOC1=CC=CC=C1COS(=O)(=O)C2=CC=C(C=C2)C)OCC

InChI

InChI=1S/C22H26O6S/c1-4-25-22(26-5-2)11-8-16-27-21-10-7-6-9-19(21)17-28-29(23,24)20-14-12-18(3)13-15-20/h6-7,9-10,12-15,22H,4-5,16-17H2,1-3H3