3-[3,4-dimethoxy-5-(4-methylphenyl)sulfonyloxy-phenyl]propanoic acid

Systemtic Name: 3-[3,4-dimethoxy-5-(4-methylphenyl)sulfonyloxy-phenyl]propanoic acid Openeye Name: 3-[3,4-dimethoxy-5-(p-tolylsulfonyloxy)phenyl]propanoic acid CAS Name: 3-[3,4-dimethoxy-5-(4-methylphenyl)sulfonyloxyphenyl]propanoic acid IUPAC Name: 3-[3,4-dimethoxy-5-(4-methylphenyl)sulfonyloxyphenyl]propanoic acid Traditional Name: 3-(3,4-dimethoxy-5-tosyloxy-phenyl)propionic acid Formula: C18H20O7S MolecularWeight: 380.4122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC(=C2OC)OC)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC(=C2OC)OC)CCC(=O)O

InChI

InChI=1S/C18H20O7S/c1-12-4-7-14(8-5-12)26(21,22)25-16-11-13(6-9-17(19)20)10-15(23-2)18(16)24-3/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,19,20)