4-[[(2S)-2-methylbutoxy]methyl]benzoic acid

Systemtic Name: 4-[[(2S)-2-methylbutoxy]methyl]benzoic acid Openeye Name: 4-[[(2S)-2-methylbutoxy]methyl]benzoic acid CAS Name: 4-[[(2S)-2-methylbutoxy]methyl]benzoic acid IUPAC Name: 4-[[(2S)-2-methylbutoxy]methyl]benzoic acid Traditional Name: 4-[[(2S)-2-methylbutoxy]methyl]benzoic acid Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)COCC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC[C@H](C)COCC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C13H18O3/c1-3-10(2)8-16-9-11-4-6-12(7-5-11)13(14)15/h4-7,10H,3,8-9H2,1-2H3,(H,14,15)/t10-/m0/s1