2-[2-(2-methylbutanoyloxy)naphthalen-1-yl]-3,5-bis(oxidanyl)heptanoic acid

Systemtic Name: 2-[2-(2-methylbutanoyloxy)naphthalen-1-yl]-3,5-bis(oxidanyl)heptanoic acid Openeye Name: 3,5-dihydroxy-2-[2-(2-methylbutanoyloxy)-1-naphthyl]heptanoic acid CAS Name: 3,5-dihydroxy-2-[2-(2-methyl-1-oxobutoxy)-1-naphthalenyl]heptanoic acid IUPAC Name: 3,5-dihydroxy-2-[2-(2-methylbutanoyloxy)naphthalen-1-yl]heptanoic acid Traditional Name: 3,5-dihydroxy-2-[2-(2-methylbutanoyloxy)-1-naphthyl]enanthic acid Formula: C22H28O6 MolecularWeight: 388.45412

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OC1=C(C2=CC=CC=C2C=C1)C(C(CC(CC)O)O)C(=O)O

Isomeric SMILES

CCC(C)C(=O)OC1=C(C2=CC=CC=C2C=C1)C(C(CC(CC)O)O)C(=O)O

InChI

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