3-(4-methoxy-2-oxidanyl-5-thiocyanato-phenyl)propanoic acid

Systemtic Name: 3-(4-methoxy-2-oxidanyl-5-thiocyanato-phenyl)propanoic acid Openeye Name: 3-(2-hydroxy-4-methoxy-5-thiocyanato-phenyl)propanoic acid CAS Name: 3-(2-hydroxy-4-methoxy-5-thiocyanatophenyl)propanoic acid IUPAC Name: 3-(2-hydroxy-4-methoxy-5-thiocyanatophenyl)propanoic acid Traditional Name: 3-(2-hydroxy-4-methoxy-5-thiocyanato-phenyl)propionic acid Formula: C11H11NO4S MolecularWeight: 253.27434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)O)CCC(=O)O)SC#N

Isomeric SMILES

COC1=C(C=C(C(=C1)O)CCC(=O)O)SC#N

InChI

InChI=1S/C11H11NO4S/c1-16-9-5-8(13)7(2-3-11(14)15)4-10(9)17-6-12/h4-5,13H,2-3H2,1H3,(H,14,15)