2-[(4-methoxy-3-oxidanyl-phenyl)methylsulfinyl]ethanoic acid

Systemtic Name: 2-[(4-methoxy-3-oxidanyl-phenyl)methylsulfinyl]ethanoic acid Openeye Name: 2-[(3-hydroxy-4-methoxy-phenyl)methylsulfinyl]acetic acid CAS Name: 2-[(3-hydroxy-4-methoxyphenyl)methylsulfinyl]acetic acid IUPAC Name: 2-[(3-hydroxy-4-methoxyphenyl)methylsulfinyl]acetic acid Traditional Name: 2-(3-hydroxy-4-methoxy-benzyl)sulfinylacetic acid Formula: C10H12O5S MolecularWeight: 244.26428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CS(=O)CC(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CS(=O)CC(=O)O)O

InChI

InChI=1S/C10H12O5S/c1-15-9-3-2-7(4-8(9)11)5-16(14)6-10(12)13/h2-4,11H,5-6H2,1H3,(H,12,13)