methyl benzenesulfonate; methyl 4-methylbenzenesulfonate

Systemtic Name: methyl benzenesulfonate; methyl 4-methylbenzenesulfonate Openeye Name: methyl benzenesulfonate; methyl 4-methylbenzenesulfonate CAS Name: benzenesulfonic acid methyl ester; 4-methylbenzenesulfonic acid methyl ester IUPAC Name: methyl benzenesulfonate; methyl 4-methylbenzenesulfonate Traditional Name: benzenesulfonic acid methyl ester; 4-methylbenzenesulfonic acid methyl ester Formula: C15H18O6S2 MolecularWeight: 358.42982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC.COS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC.COS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C8H10O3S.C7H8O3S/c1-7-3-5-8(6-4-7)12(9,10)11-2;1-10-11(8,9)7-5-3-2-4-6-7/h3-6H,1-2H3;2-6H,1H3