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

Systemtic Name: (E)-7-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)hept-5-enoic acid Openeye Name: (E)-7-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)hept-5-enoic acid CAS Name: (E)-7-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-5-heptenoic acid IUPAC Name: (E)-7-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)hept-5-enoic acid Traditional Name: (E)-7-(4-hydroxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)hept-5-enoic acid Formula: C17H20O6 MolecularWeight: 320.3371

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)O)CC=CCCCC(=O)O)OC

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)O)C/C=C/CCCC(=O)O)OC

InChI

InChI=1S/C17H20O6/c1-10-12-9-23-17(21)14(12)15(20)11(16(10)22-2)7-5-3-4-6-8-13(18)19/h3,5,20H,4,6-9H2,1-2H3,(H,18,19)/b5-3+