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

Systemtic Name: (E)-6-(6-cyano-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-4-methyl-hex-4-enoic acid Openeye Name: (E)-6-(6-cyano-4-hydroxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoic acid CAS Name: (E)-6-(6-cyano-4-hydroxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-4-hexenoic acid IUPAC Name: (E)-6-(6-cyano-4-hydroxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid Traditional Name: (E)-6-(6-cyano-4-hydroxy-3-keto-7-methyl-phthalan-5-yl)-4-methyl-hex-4-enoic acid Formula: C17H17NO5 MolecularWeight: 315.32058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)O)C#N

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)O)C/C=C(\C)/CCC(=O)O)C#N

InChI

InChI=1S/C17H17NO5/c1-9(4-6-14(19)20)3-5-11-12(7-18)10(2)13-8-23-17(22)15(13)16(11)21/h3,21H,4-6,8H2,1-2H3,(H,19,20)/b9-3+