(E)-2-(1,3-dithiolan-2-ylidene)-5-(2-nitrophenyl)-3-oxidanylidene-pent-4-enoic acid

Systemtic Name: (E)-2-(1,3-dithiolan-2-ylidene)-5-(2-nitrophenyl)-3-oxidanylidene-pent-4-enoic acid Openeye Name: (E)-2-(1,3-dithiolan-2-ylidene)-5-(2-nitrophenyl)-3-oxo-pent-4-enoic acid CAS Name: (E)-2-(1,3-dithiolan-2-ylidene)-5-(2-nitrophenyl)-3-oxo-4-pentenoic acid IUPAC Name: (E)-2-(1,3-dithiolan-2-ylidene)-5-(2-nitrophenyl)-3-oxopent-4-enoic acid Traditional Name: (E)-2-(1,3-dithiolan-2-ylidene)-3-keto-5-(2-nitrophenyl)pent-4-enoic acid Formula: C14H11NO5S2 MolecularWeight: 337.37084

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=C(C(=O)C=CC2=CC=CC=C2[N+](=O)[O-])C(=O)O)S1

Isomeric SMILES

C1CSC(=C(C(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-])C(=O)O)S1

InChI

InChI=1S/C14H11NO5S2/c16-11(12(13(17)18)14-21-7-8-22-14)6-5-9-3-1-2-4-10(9)15(19)20/h1-6H,7-8H2,(H,17,18)/b6-5+