3,4-bis[(2,4,6-trimethylphenyl)sulfonyloxy]butyl 2,4,6-trimethylbenzenesulfonate

Systemtic Name: 3,4-bis[(2,4,6-trimethylphenyl)sulfonyloxy]butyl 2,4,6-trimethylbenzenesulfonate Openeye Name: 3,4-bis[(2,4,6-trimethylphenyl)sulfonyloxy]butyl 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid 3,4-bis[(2,4,6-trimethylphenyl)sulfonyloxy]butyl ester IUPAC Name: 3,4-bis[(2,4,6-trimethylphenyl)sulfonyloxy]butyl 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid 3,4-bis(mesitylsulfonyloxy)butyl ester Formula: C31H40O9S3 MolecularWeight: 652.8389

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)OCCC(COS(=O)(=O)C2=C(C=C(C=C2C)C)C)OS(=O)(=O)C3=C(C=C(C=C3C)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)OCCC(COS(=O)(=O)C2=C(C=C(C=C2C)C)C)OS(=O)(=O)C3=C(C=C(C=C3C)C)C)C

InChI

InChI=1S/C31H40O9S3/c1-19-12-22(4)29(23(5)13-19)41(32,33)38-11-10-28(40-43(36,37)31-26(8)16-21(3)17-27(31)9)18-39-42(34,35)30-24(6)14-20(2)15-25(30)7/h12-17,28H,10-11,18H2,1-9H3