(E)-3-(4-methoxyphenyl)-2-thiocyanato-prop-2-enoic acid

Systemtic Name: (E)-3-(4-methoxyphenyl)-2-thiocyanato-prop-2-enoic acid Openeye Name: (E)-3-(4-methoxyphenyl)-2-thiocyanato-prop-2-enoic acid CAS Name: (E)-3-(4-methoxyphenyl)-2-thiocyanato-2-propenoic acid IUPAC Name: (E)-3-(4-methoxyphenyl)-2-thiocyanatoprop-2-enoic acid Traditional Name: (E)-3-(4-methoxyphenyl)-2-thiocyanato-acrylic acid Formula: C11H9NO3S MolecularWeight: 235.25906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC=C(C=C1)/C=C(\C(=O)O)/SC#N

InChI

InChI=1S/C11H9NO3S/c1-15-9-4-2-8(3-5-9)6-10(11(13)14)16-7-12/h2-6H,1H3,(H,13,14)/b10-6+