2-(2-methylbutanoyl)-3,5-bis(oxidanyl)-2-(2-oxidanylidene-1H-naphthalen-1-yl)heptanoic acid

Systemtic Name: 2-(2-methylbutanoyl)-3,5-bis(oxidanyl)-2-(2-oxidanylidene-1H-naphthalen-1-yl)heptanoic acid Openeye Name: 3,5-dihydroxy-2-(2-methylbutanoyl)-2-(2-oxo-1H-naphthalen-1-yl)heptanoic acid CAS Name: 3,5-dihydroxy-2-(2-methyl-1-oxobutyl)-2-(2-oxo-1H-naphthalen-1-yl)heptanoic acid IUPAC Name: 3,5-dihydroxy-2-(2-methylbutanoyl)-2-(2-oxo-1H-naphthalen-1-yl)heptanoic acid Traditional Name: 3,5-dihydroxy-2-(2-keto-1H-naphthalen-1-yl)-2-(2-methylbutanoyl)enanthic acid Formula: C22H28O6 MolecularWeight: 388.45412

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)C(C1C(=O)C=CC2=CC=CC=C12)(C(CC(CC)O)O)C(=O)O

Isomeric SMILES

CCC(C)C(=O)C(C1C(=O)C=CC2=CC=CC=C12)(C(CC(CC)O)O)C(=O)O

InChI

InChI=1S/C22H28O6/c1-4-13(3)20(26)22(21(27)28,18(25)12-15(23)5-2)19-16-9-7-6-8-14(16)10-11-17(19)24/h6-11,13,15,18-19,23,25H,4-5,12H2,1-3H3,(H,27,28)