2-[4-[2-[(2S)-octan-2-yl]oxyethyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[2-[(2S)-octan-2-yl]oxyethyl]phenyl]ethanoic acid Openeye Name: 2-[4-[2-[(1S)-1-methylheptoxy]ethyl]phenyl]acetic acid CAS Name: 2-[4-[2-[(2S)-octan-2-yl]oxyethyl]phenyl]acetic acid IUPAC Name: 2-[4-[2-[(2S)-octan-2-yl]oxyethyl]phenyl]acetic acid Traditional Name: 2-[4-[2-[(1S)-1-methylheptoxy]ethyl]phenyl]acetic acid Formula: C18H28O3 MolecularWeight: 292.41312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OCCC1=CC=C(C=C1)CC(=O)O

Isomeric SMILES

CCCCCC[C@H](C)OCCC1=CC=C(C=C1)CC(=O)O

InChI

InChI=1S/C18H28O3/c1-3-4-5-6-7-15(2)21-13-12-16-8-10-17(11-9-16)14-18(19)20/h8-11,15H,3-7,12-14H2,1-2H3,(H,19,20)/t15-/m0/s1