4-[4-[(2S)-butan-2-yl]phenyl]butanoate

Systemtic Name: 4-[4-[(2S)-butan-2-yl]phenyl]butanoate Openeye Name: 4-[4-[(1S)-1-methylpropyl]phenyl]butanoate CAS Name: 4-[4-[(2S)-butan-2-yl]phenyl]butanoate IUPAC Name: 4-[4-[(2S)-butan-2-yl]phenyl]butanoate Traditional Name: 4-[4-[(1S)-1-methylpropyl]phenyl]butyrate Formula: C14H19O2- MolecularWeight: 219.29946

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)CCCC(=O)[O-]

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)CCCC(=O)[O-]

InChI

InChI=1S/C14H20O2/c1-3-11(2)13-9-7-12(8-10-13)5-4-6-14(15)16/h7-11H,3-6H2,1-2H3,(H,15,16)/p-1/t11-/m0/s1