methyl 2-[2-methyl-5-(phenylsulfonyl)phenyl]sulfonylethanoate

Systemtic Name: methyl 2-[2-methyl-5-(phenylsulfonyl)phenyl]sulfonylethanoate Openeye Name: methyl 2-[5-(benzenesulfonyl)-2-methyl-phenyl]sulfonylacetate CAS Name: 2-[5-(benzenesulfonyl)-2-methylphenyl]sulfonylacetic acid methyl ester IUPAC Name: methyl 2-[5-(benzenesulfonyl)-2-methylphenyl]sulfonylacetate Traditional Name: 2-(5-besyl-2-methyl-phenyl)sulfonylacetic acid methyl ester Formula: C16H16O6S2 MolecularWeight: 368.42464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)CC(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)CC(=O)OC

InChI

InChI=1S/C16H16O6S2/c1-12-8-9-14(24(20,21)13-6-4-3-5-7-13)10-15(12)23(18,19)11-16(17)22-2/h3-10H,11H2,1-2H3