(1S)-1-methyl-1-[(2R)-2-methylbutanoyl]-4,6-bis(oxidanyl)-3-oxidanylidene-2-benzofuran-5-carboxylic acid

Systemtic Name: (1S)-1-methyl-1-[(2R)-2-methylbutanoyl]-4,6-bis(oxidanyl)-3-oxidanylidene-2-benzofuran-5-carboxylic acid Openeye Name: (1S)-4,6-dihydroxy-1-methyl-1-[(2R)-2-methylbutanoyl]-3-oxo-isobenzofuran-5-carboxylic acid CAS Name: (1S)-4,6-dihydroxy-1-methyl-1-[(2R)-2-methyl-1-oxobutyl]-3-oxo-5-isobenzofurancarboxylic acid IUPAC Name: (1S)-4,6-dihydroxy-1-methyl-1-[(2R)-2-methylbutanoyl]-3-oxo-2-benzofuran-5-carboxylic acid Traditional Name: (1S)-4,6-dihydroxy-3-keto-1-methyl-1-[(2R)-2-methylbutanoyl]phthalan-5-carboxylic acid Formula: C15H16O7 MolecularWeight: 308.28334

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)C1(C2=CC(=C(C(=C2C(=O)O1)O)C(=O)O)O)C

Isomeric SMILES

CC[C@@H](C)C(=O)[C@@]1(C2=CC(=C(C(=C2C(=O)O1)O)C(=O)O)O)C

InChI

InChI=1S/C15H16O7/c1-4-6(2)12(18)15(3)7-5-8(16)10(13(19)20)11(17)9(7)14(21)22-15/h5-6,16-17H,4H2,1-3H3,(H,19,20)/t6-,15+/m1/s1