2-[[4-methoxy-3-(4-methylphenyl)sulfonyloxy-phenyl]methylsulfonyl]ethanoic acid

Systemtic Name: 2-[[4-methoxy-3-(4-methylphenyl)sulfonyloxy-phenyl]methylsulfonyl]ethanoic acid Openeye Name: 2-[[4-methoxy-3-(p-tolylsulfonyloxy)phenyl]methylsulfonyl]acetic acid CAS Name: 2-[[4-methoxy-3-(4-methylphenyl)sulfonyloxyphenyl]methylsulfonyl]acetic acid IUPAC Name: 2-[[4-methoxy-3-(4-methylphenyl)sulfonyloxyphenyl]methylsulfonyl]acetic acid Traditional Name: 2-(4-methoxy-3-tosyloxy-benzyl)sulfonylacetic acid Formula: C17H18O8S2 MolecularWeight: 414.45002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)CS(=O)(=O)CC(=O)O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)CS(=O)(=O)CC(=O)O)OC

InChI

InChI=1S/C17H18O8S2/c1-12-3-6-14(7-4-12)27(22,23)25-16-9-13(5-8-15(16)24-2)10-26(20,21)11-17(18)19/h3-9H,10-11H2,1-2H3,(H,18,19)