4-[5-[(Z)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzenesulfonic acid

Systemtic Name: 4-[5-[(Z)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzenesulfonic acid Openeye Name: 4-[5-[(Z)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]-2-furyl]benzenesulfonic acid CAS Name: 4-[5-[(Z)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-2-furanyl]benzenesulfonic acid IUPAC Name: 4-[5-[(Z)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]furan-2-yl]benzenesulfonic acid Traditional Name: 4-[5-[(Z)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]-2-furyl]besylic acid Formula: C16H13NO6S MolecularWeight: 347.34252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC=C(O1)C2=CC=C(C=C2)S(=O)(=O)O)C#N

Isomeric SMILES

CCOC(=O)/C(=C\C1=CC=C(O1)C2=CC=C(C=C2)S(=O)(=O)O)/C#N

InChI

InChI=1S/C16H13NO6S/c1-2-22-16(18)12(10-17)9-13-5-8-15(23-13)11-3-6-14(7-4-11)24(19,20)21/h3-9H,2H2,1H3,(H,19,20,21)/b12-9-