(2R)-2-[(2S)-5-bromanyl-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-pentan-2-yl]octanoic acid

Systemtic Name: (2R)-2-[(2S)-5-bromanyl-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-pentan-2-yl]octanoic acid Openeye Name: (2R)-2-[(1S)-4-bromo-1-tert-butoxycarbonyl-butyl]octanoic acid CAS Name: (2R)-2-[(2S)-5-bromo-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]octanoic acid IUPAC Name: (2R)-2-[(2S)-5-bromo-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]octanoic acid Traditional Name: (2R)-2-[(1S)-4-bromo-1-tert-butoxycarbonyl-butyl]caprylic acid Formula: C17H31BrO4 MolecularWeight: 379.32964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(CCCBr)C(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CCCCCC[C@H]([C@H](CCCBr)C(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C17H31BrO4/c1-5-6-7-8-10-13(15(19)20)14(11-9-12-18)16(21)22-17(2,3)4/h13-14H,5-12H2,1-4H3,(H,19,20)/t13-,14+/m1/s1