2-methyl-3,4-bis-(4-methylphenyl)sulfonyl-butanoate

Systemtic Name: 2-methyl-3,4-bis-(4-methylphenyl)sulfonyl-butanoate Openeye Name: 2-methyl-3,4-bis(p-tolylsulfonyl)butanoate CAS Name: 2-methyl-3,4-bis-(4-methylphenyl)sulfonylbutanoate IUPAC Name: 2-methyl-3,4-bis-(4-methylphenyl)sulfonylbutanoate Traditional Name: 2-methyl-3,4-ditosyl-butyrate Formula: C19H21O6S2- MolecularWeight: 409.49644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(C(C)C(=O)[O-])S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(C(C)C(=O)[O-])S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C19H22O6S2/c1-13-4-8-16(9-5-13)26(22,23)12-18(15(3)19(20)21)27(24,25)17-10-6-14(2)7-11-17/h4-11,15,18H,12H2,1-3H3,(H,20,21)/p-1