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

Systemtic Name: (E)-4-methyl-6-(7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)hex-4-enoic acid Openeye Name: (E)-6-(4-hydroxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoic acid CAS Name: (E)-6-(4-hydroxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-4-hexenoic acid IUPAC Name: (E)-6-(4-hydroxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid Traditional Name: (E)-6-(4-hydroxy-3-keto-7-methyl-phthalan-5-yl)-4-methyl-hex-4-enoic acid Formula: C16H18O5 MolecularWeight: 290.31112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C2=C1COC2=O)O)C/C=C(\C)/CCC(=O)O

InChI

InChI=1S/C16H18O5/c1-9(4-6-13(17)18)3-5-11-7-10(2)12-8-21-16(20)14(12)15(11)19/h3,7,19H,4-6,8H2,1-2H3,(H,17,18)/b9-3+