5-[2-[(2S)-butan-2-yl]phenoxy]pentanoate

Systemtic Name: 5-[2-[(2S)-butan-2-yl]phenoxy]pentanoate Openeye Name: 5-[2-[(1S)-1-methylpropyl]phenoxy]pentanoate CAS Name: 5-[2-[(2S)-butan-2-yl]phenoxy]pentanoate IUPAC Name: 5-[2-[(2S)-butan-2-yl]phenoxy]pentanoate Traditional Name: 5-[2-[(1S)-1-methylpropyl]phenoxy]valerate Formula: C15H21O3- MolecularWeight: 249.32544

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OCCCCC(=O)[O-]

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1OCCCCC(=O)[O-]

InChI

InChI=1S/C15H22O3/c1-3-12(2)13-8-4-5-9-14(13)18-11-7-6-10-15(16)17/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,16,17)/p-1/t12-/m0/s1