4-[(2S)-octan-2-yl]oxybenzoic acid

Systemtic Name: 4-[(2S)-octan-2-yl]oxybenzoic acid Openeye Name: 4-[(1S)-1-methylheptoxy]benzoic acid CAS Name: 4-[(2S)-octan-2-yl]oxybenzoic acid IUPAC Name: 4-[(2S)-octan-2-yl]oxybenzoic acid Traditional Name: 4-[(1S)-1-methylheptoxy]benzoic acid Formula: C15H22O3 MolecularWeight: 250.33338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCCCCC[C@H](C)OC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C15H22O3/c1-3-4-5-6-7-12(2)18-14-10-8-13(9-11-14)15(16)17/h8-12H,3-7H2,1-2H3,(H,16,17)/t12-/m0/s1