[2-[(4-methylphenyl)sulfonyloxymethyl]-2-prop-2-ynyl-pent-4-ynyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[(4-methylphenyl)sulfonyloxymethyl]-2-prop-2-ynyl-pent-4-ynyl] 4-methylbenzenesulfonate Openeye Name: [2-prop-2-ynyl-2-(p-tolylsulfonyloxymethyl)pent-4-ynyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(4-methylphenyl)sulfonyloxymethyl]-2-prop-2-ynylpent-4-ynyl] ester IUPAC Name: [2-[(4-methylphenyl)sulfonyloxymethyl]-2-prop-2-ynylpent-4-ynyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-propargyl-2-(tosyloxymethyl)pent-4-ynyl] ester Formula: C23H24O6S2 MolecularWeight: 460.56306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24O6S2/c1-5-15-23(16-6-2,17-28-30(24,25)21-11-7-19(3)8-12-21)18-29-31(26,27)22-13-9-20(4)10-14-22/h1-2,7-14H,15-18H2,3-4H3