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

Systemtic Name: (E)-6-(4-chloranyl-6-methoxy-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-4-methyl-hex-4-enoic acid Openeye Name: (E)-6-(4-chloro-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoic acid CAS Name: (E)-6-(4-chloro-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-4-hexenoic acid IUPAC Name: (E)-6-(4-chloro-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid Traditional Name: (E)-6-(4-chloro-3-keto-6-methoxy-7-methyl-phthalan-5-yl)-4-methyl-hex-4-enoic acid Formula: C17H19ClO5 MolecularWeight: 338.78276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)Cl)C/C=C(\C)/CCC(=O)O)OC

InChI

InChI=1S/C17H19ClO5/c1-9(5-7-13(19)20)4-6-11-15(18)14-12(8-23-17(14)21)10(2)16(11)22-3/h4H,5-8H2,1-3H3,(H,19,20)/b9-4+