[7-methyl-5,6-bis-(4-methylphenyl)sulfonyloxy-1,3-dioxepan-4-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [7-methyl-5,6-bis-(4-methylphenyl)sulfonyloxy-1,3-dioxepan-4-yl]methyl 4-methylbenzenesulfonate Openeye Name: [7-methyl-5,6-bis(p-tolylsulfonyloxy)-1,3-dioxepan-4-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [7-methyl-5,6-bis-(4-methylphenyl)sulfonyloxy-1,3-dioxepan-4-yl]methyl ester IUPAC Name: [7-methyl-5,6-bis-(4-methylphenyl)sulfonyloxy-1,3-dioxepan-4-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (7-methyl-5,6-ditosyloxy-1,3-dioxepan-4-yl)methyl ester Formula: C28H32O11S3 MolecularWeight: 640.74208

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(OCO1)COS(=O)(=O)C2=CC=C(C=C2)C)OS(=O)(=O)C3=CC=C(C=C3)C)OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1C(C(C(OCO1)COS(=O)(=O)C2=CC=C(C=C2)C)OS(=O)(=O)C3=CC=C(C=C3)C)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C28H32O11S3/c1-19-5-11-23(12-6-19)40(29,30)37-17-26-28(39-42(33,34)25-15-9-21(3)10-16-25)27(22(4)35-18-36-26)38-41(31,32)24-13-7-20(2)8-14-24/h5-16,22,26-28H,17-18H2,1-4H3