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

Systemtic Name: (E)-2-(1,3-dithiepan-2-ylidene)-5-(3-nitrophenyl)-3-oxidanylidene-pent-4-enoic acid Openeye Name: (E)-2-(1,3-dithiepan-2-ylidene)-5-(3-nitrophenyl)-3-oxo-pent-4-enoic acid CAS Name: (E)-2-(1,3-dithiepan-2-ylidene)-5-(3-nitrophenyl)-3-oxo-4-pentenoic acid IUPAC Name: (E)-2-(1,3-dithiepan-2-ylidene)-5-(3-nitrophenyl)-3-oxopent-4-enoic acid Traditional Name: (E)-2-(1,3-dithiepan-2-ylidene)-3-keto-5-(3-nitrophenyl)pent-4-enoic acid Formula: C16H15NO5S2 MolecularWeight: 365.424

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Descriptors Computed from Structure

Canonical SMILES:

C1CCSC(=C(C(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)O)SC1

Isomeric SMILES

C1CCSC(=C(C(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O)SC1

InChI

InChI=1S/C16H15NO5S2/c18-13(7-6-11-4-3-5-12(10-11)17(21)22)14(15(19)20)16-23-8-1-2-9-24-16/h3-7,10H,1-2,8-9H2,(H,19,20)/b7-6+