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

Systemtic Name: (5R)-5-[4-[(2S)-butan-2-yl]phenyl]-5-oxidanyl-pentanoate Openeye Name: (5R)-5-hydroxy-5-[4-[(1S)-1-methylpropyl]phenyl]pentanoate CAS Name: (5R)-5-[4-[(2S)-butan-2-yl]phenyl]-5-hydroxypentanoate IUPAC Name: (5R)-5-[4-[(2S)-butan-2-yl]phenyl]-5-hydroxypentanoate Traditional Name: (5R)-5-hydroxy-5-[4-[(1S)-1-methylpropyl]phenyl]valerate Formula: C15H21O3- MolecularWeight: 249.32544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22O3/c1-3-11(2)12-7-9-13(10-8-12)14(16)5-4-6-15(17)18/h7-11,14,16H,3-6H2,1-2H3,(H,17,18)/p-1/t11-,14+/m0/s1