[5-methoxy-4-(4-methylphenyl)sulfonyloxy-3-thiocyanato-oxolan-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [5-methoxy-4-(4-methylphenyl)sulfonyloxy-3-thiocyanato-oxolan-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [5-methoxy-4-(p-tolylsulfonyloxy)-3-thiocyanato-tetrahydrofuran-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-methoxy-4-(4-methylphenyl)sulfonyloxy-3-thiocyanato-2-oxolanyl]methyl ester IUPAC Name: [5-methoxy-4-(4-methylphenyl)sulfonyloxy-3-thiocyanatooxolan-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-methoxy-3-thiocyanato-4-tosyloxy-tetrahydrofuran-2-yl)methyl ester Formula: C21H23NO8S3 MolecularWeight: 513.60422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(C(O2)OC)OS(=O)(=O)C3=CC=C(C=C3)C)SC#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(C(O2)OC)OS(=O)(=O)C3=CC=C(C=C3)C)SC#N

InChI

InChI=1S/C21H23NO8S3/c1-14-4-8-16(9-5-14)32(23,24)28-12-18-20(31-13-22)19(21(27-3)29-18)30-33(25,26)17-10-6-15(2)7-11-17/h4-11,18-21H,12H2,1-3H3