(E)-6-(7-cyano-6-methoxy-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-4-methyl-hex-4-enoic acid

Systemtic Name: (E)-6-(7-cyano-6-methoxy-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-4-methyl-hex-4-enoic acid Openeye Name: (E)-6-(7-cyano-4-hydroxy-6-methoxy-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoic acid CAS Name: (E)-6-(7-cyano-4-hydroxy-6-methoxy-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-4-hexenoic acid IUPAC Name: (E)-6-(7-cyano-4-hydroxy-6-methoxy-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid Traditional Name: (E)-6-(7-cyano-4-hydroxy-3-keto-6-methoxy-phthalan-5-yl)-4-methyl-hex-4-enoic acid Formula: C17H17NO6 MolecularWeight: 331.31998

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1=C(C(=C2COC(=O)C2=C1O)C#N)OC)CCC(=O)O

Isomeric SMILES

C/C(=C\CC1=C(C(=C2COC(=O)C2=C1O)C#N)OC)/CCC(=O)O

InChI

InChI=1S/C17H17NO6/c1-9(4-6-13(19)20)3-5-10-15(21)14-12(8-24-17(14)22)11(7-18)16(10)23-2/h3,21H,4-6,8H2,1-2H3,(H,19,20)/b9-3+