4-[5-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzenesulfonate

Systemtic Name: 4-[5-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzenesulfonate Openeye Name: 4-[5-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]-2-furyl]benzenesulfonate CAS Name: 4-[5-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-furanyl]benzenesulfonate IUPAC Name: 4-[5-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzenesulfonate Traditional Name: 4-[5-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]-2-furyl]besylate Formula: C14H9N2O5S- MolecularWeight: 317.29666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(O2)C=C(C#N)C(=O)N)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(O2)/C=C(\C#N)/C(=O)N)S(=O)(=O)[O-]

InChI

InChI=1S/C14H10N2O5S/c15-8-10(14(16)17)7-11-3-6-13(21-11)9-1-4-12(5-2-9)22(18,19)20/h1-7H,(H2,16,17)(H,18,19,20)/p-1/b10-7+