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

Systemtic Name: (E)-3-(4-nitrophenyl)-2-sulfanyl-prop-2-enoic acid Openeye Name: (E)-3-(4-nitrophenyl)-2-sulfanyl-prop-2-enoic acid CAS Name: (E)-2-mercapto-3-(4-nitrophenyl)-2-propenoic acid IUPAC Name: (E)-3-(4-nitrophenyl)-2-sulfanylprop-2-enoic acid Traditional Name: (E)-2-mercapto-3-(4-nitrophenyl)acrylic acid Formula: C9H7NO4S MolecularWeight: 225.22118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7NO4S/c11-9(12)8(15)5-6-1-3-7(4-2-6)10(13)14/h1-5,15H,(H,11,12)/b8-5+