(2S)-2-methyl-4-[7-methyl-4,6-bis(oxidanyl)-3-oxidanylidene-1H-2-benzofuran-5-yl]butanoic acid

Systemtic Name: (2S)-2-methyl-4-[7-methyl-4,6-bis(oxidanyl)-3-oxidanylidene-1H-2-benzofuran-5-yl]butanoic acid Openeye Name: (2S)-4-(4,6-dihydroxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-2-methyl-butanoic acid CAS Name: (2S)-4-(4,6-dihydroxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-2-methylbutanoic acid IUPAC Name: (2S)-4-(4,6-dihydroxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2-methylbutanoic acid Traditional Name: (2S)-4-(4,6-dihydroxy-3-keto-7-methyl-phthalan-5-yl)-2-methyl-butyric acid Formula: C14H16O6 MolecularWeight: 280.27324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)O)CC[C@H](C)C(=O)O)O

InChI

InChI=1S/C14H16O6/c1-6(13(17)18)3-4-8-11(15)7(2)9-5-20-14(19)10(9)12(8)16/h6,15-16H,3-5H2,1-2H3,(H,17,18)/t6-/m0/s1