3-(3-methoxy-4-sulfooxy-phenyl)propanoic acid

Systemtic Name: 3-(3-methoxy-4-sulfooxy-phenyl)propanoic acid Openeye Name: 3-(3-methoxy-4-sulfooxy-phenyl)propanoic acid CAS Name: 3-(3-methoxy-4-sulfooxyphenyl)propanoic acid IUPAC Name: 3-(3-methoxy-4-sulfooxyphenyl)propanoic acid Traditional Name: 3-(3-methoxy-4-sulfoxy-phenyl)propionic acid Formula: C10H12O7S MolecularWeight: 276.26308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCC(=O)O)OS(=O)(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)CCC(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C10H12O7S/c1-16-9-6-7(3-5-10(11)12)2-4-8(9)17-18(13,14)15/h2,4,6H,3,5H2,1H3,(H,11,12)(H,13,14,15)