4-nitro-3-[(E)-1-oxidanyl-3-oxidanylidene-prop-1-en-2-yl]benzoic acid hydrate

Systemtic Name: 4-nitro-3-[(E)-1-oxidanyl-3-oxidanylidene-prop-1-en-2-yl]benzoic acid hydrate Openeye Name: 3-[(E)-1-formyl-2-hydroxy-vinyl]-4-nitro-benzoic acid hydrate CAS Name: 3-[(E)-1-hydroxy-3-oxoprop-1-en-2-yl]-4-nitrobenzoic acid hydrate IUPAC Name: 3-[(E)-1-hydroxy-3-oxoprop-1-en-2-yl]-4-nitrobenzoic acid hydrate Traditional Name: 3-[(E)-1-formyl-2-hydroxy-vinyl]-4-nitro-benzoic acid hydrate Formula: C10H9NO7 MolecularWeight: 255.18096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)/C(=C\O)/C=O)[N+](=O)[O-].O

InChI

InChI=1S/C10H7NO6.H2O/c12-4-7(5-13)8-3-6(10(14)15)1-2-9(8)11(16)17;/h1-5,12H,(H,14,15);1H2/b7-4-;