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

Systemtic Name: 3-(4-methyl-2-oxidanyl-5-thiocyanato-phenyl)propanoic acid Openeye Name: 3-(2-hydroxy-4-methyl-5-thiocyanato-phenyl)propanoic acid CAS Name: 3-(2-hydroxy-4-methyl-5-thiocyanatophenyl)propanoic acid IUPAC Name: 3-(2-hydroxy-4-methyl-5-thiocyanatophenyl)propanoic acid Traditional Name: 3-(2-hydroxy-4-methyl-5-thiocyanato-phenyl)propionic acid Formula: C11H11NO3S MolecularWeight: 237.27494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1SC#N)CCC(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1SC#N)CCC(=O)O)O

InChI

InChI=1S/C11H11NO3S/c1-7-4-9(13)8(2-3-11(14)15)5-10(7)16-6-12/h4-5,13H,2-3H2,1H3,(H,14,15)