5-[4-[(2S)-butan-2-yl]phenyl]pentanoate

Systemtic Name: 5-[4-[(2S)-butan-2-yl]phenyl]pentanoate Openeye Name: 5-[4-[(1S)-1-methylpropyl]phenyl]pentanoate CAS Name: 5-[4-[(2S)-butan-2-yl]phenyl]pentanoate IUPAC Name: 5-[4-[(2S)-butan-2-yl]phenyl]pentanoate Traditional Name: 5-[4-[(1S)-1-methylpropyl]phenyl]valerate Formula: C15H21O2- MolecularWeight: 233.32604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22O2/c1-3-12(2)14-10-8-13(9-11-14)6-4-5-7-15(16)17/h8-12H,3-7H2,1-2H3,(H,16,17)/p-1/t12-/m0/s1