2-[8-(2-ethyl-2-methyl-butanoyl)oxy-8,8a-dihydronaphthalen-1-yl]-2-methyl-3,5-bis(oxidanyl)heptanoic acid

Systemtic Name: 2-[8-(2-ethyl-2-methyl-butanoyl)oxy-8,8a-dihydronaphthalen-1-yl]-2-methyl-3,5-bis(oxidanyl)heptanoic acid Openeye Name: 2-[8-(2-ethyl-2-methyl-butanoyl)oxy-8,8a-dihydronaphthalen-1-yl]-3,5-dihydroxy-2-methyl-heptanoic acid CAS Name: 2-[8-(2-ethyl-2-methyl-1-oxobutoxy)-8,8a-dihydronaphthalen-1-yl]-3,5-dihydroxy-2-methylheptanoic acid IUPAC Name: 2-[8-(2-ethyl-2-methylbutanoyl)oxy-8,8a-dihydronaphthalen-1-yl]-3,5-dihydroxy-2-methylheptanoic acid Traditional Name: 2-[8-(2-ethyl-2-methyl-butanoyl)oxy-8,8a-dihydronaphthalen-1-yl]-3,5-dihydroxy-2-methyl-enanthic acid Formula: C25H36O6 MolecularWeight: 432.54974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C(C)(C1=CC=CC2=CC=CC(C21)OC(=O)C(C)(CC)CC)C(=O)O)O)O

Isomeric SMILES

CCC(CC(C(C)(C1=CC=CC2=CC=CC(C21)OC(=O)C(C)(CC)CC)C(=O)O)O)O

InChI

InChI=1S/C25H36O6/c1-6-17(26)15-20(27)25(5,22(28)29)18-13-9-11-16-12-10-14-19(21(16)18)31-23(30)24(4,7-2)8-3/h9-14,17,19-21,26-27H,6-8,15H2,1-5H3,(H,28,29)