5-[[(2S)-octan-2-yl]oxymethyl]furan-2-carboxylate

Systemtic Name: 5-[[(2S)-octan-2-yl]oxymethyl]furan-2-carboxylate Openeye Name: 5-[[(1S)-1-methylheptoxy]methyl]furan-2-carboxylate CAS Name: 5-[[(2S)-octan-2-yl]oxymethyl]-2-furancarboxylate IUPAC Name: 5-[[(2S)-octan-2-yl]oxymethyl]furan-2-carboxylate Traditional Name: 5-[[(1S)-1-methylheptoxy]methyl]-2-furoate Formula: C14H21O4- MolecularWeight: 253.31414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OCC1=CC=C(O1)C(=O)[O-]

Isomeric SMILES

CCCCCC[C@H](C)OCC1=CC=C(O1)C(=O)[O-]

InChI

InChI=1S/C14H22O4/c1-3-4-5-6-7-11(2)17-10-12-8-9-13(18-12)14(15)16/h8-9,11H,3-7,10H2,1-2H3,(H,15,16)/p-1/t11-/m0/s1