2-nitro-4-[(E)-[(3Z)-2-oxidanylidene-3-(thiophen-2-ylmethylidene)cyclohexylidene]methyl]phenolate

Systemtic Name: 2-nitro-4-[(E)-[(3Z)-2-oxidanylidene-3-(thiophen-2-ylmethylidene)cyclohexylidene]methyl]phenolate Openeye Name: 2-nitro-4-[(E)-[(3Z)-2-oxo-3-(2-thienylmethylene)cyclohexylidene]methyl]phenolate CAS Name: 2-nitro-4-[(E)-[(3Z)-2-oxo-3-(thiophen-2-ylmethylidene)cyclohexylidene]methyl]phenolate IUPAC Name: 2-nitro-4-[(E)-[(3Z)-2-oxo-3-(thiophen-2-ylmethylidene)cyclohexylidene]methyl]phenolate Traditional Name: 4-[(E)-[(3Z)-2-keto-3-(2-thenylidene)cyclohexylidene]methyl]-2-nitro-phenolate Formula: C18H14NO4S- MolecularWeight: 340.37306

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC2=CC(=C(C=C2)[O-])[N+](=O)[O-])C(=O)C(=CC3=CC=CS3)C1

Isomeric SMILES

C1C/C(=C\C2=CC(=C(C=C2)[O-])[N+](=O)[O-])/C(=O)/C(=C\C3=CC=CS3)/C1

InChI

InChI=1S/C18H15NO4S/c20-17-7-6-12(10-16(17)19(22)23)9-13-3-1-4-14(18(13)21)11-15-5-2-8-24-15/h2,5-11,20H,1,3-4H2/p-1/b13-9+,14-11-