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

Systemtic Name: (E)-3-(4-nitrophenyl)-2-thiocyanato-prop-2-enoic acid Openeye Name: (E)-3-(4-nitrophenyl)-2-thiocyanato-prop-2-enoic acid CAS Name: (E)-3-(4-nitrophenyl)-2-thiocyanato-2-propenoic acid IUPAC Name: (E)-3-(4-nitrophenyl)-2-thiocyanatoprop-2-enoic acid Traditional Name: (E)-3-(4-nitrophenyl)-2-thiocyanato-acrylic acid Formula: C10H6N2O4S MolecularWeight: 250.23064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C(C(=O)O)SC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1/C=C(\C(=O)O)/SC#N)[N+](=O)[O-]

InChI

InChI=1S/C10H6N2O4S/c11-6-17-9(10(13)14)5-7-1-3-8(4-2-7)12(15)16/h1-5H,(H,13,14)/b9-5+