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

Systemtic Name: (E)-2-(1,3-dithian-2-ylidene)-5-(4-nitrophenyl)-3-oxidanylidene-pent-4-enoic acid Openeye Name: (E)-2-(1,3-dithian-2-ylidene)-5-(4-nitrophenyl)-3-oxo-pent-4-enoic acid CAS Name: (E)-2-(1,3-dithian-2-ylidene)-5-(4-nitrophenyl)-3-oxo-4-pentenoic acid IUPAC Name: (E)-2-(1,3-dithian-2-ylidene)-5-(4-nitrophenyl)-3-oxopent-4-enoic acid Traditional Name: (E)-2-(1,3-dithian-2-ylidene)-3-keto-5-(4-nitrophenyl)pent-4-enoic acid Formula: C15H13NO5S2 MolecularWeight: 351.39742

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=C(C(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O)SC1

Isomeric SMILES

C1CSC(=C(C(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O)SC1

InChI

InChI=1S/C15H13NO5S2/c17-12(13(14(18)19)15-22-8-1-9-23-15)7-4-10-2-5-11(6-3-10)16(20)21/h2-7H,1,8-9H2,(H,18,19)/b7-4+