(3S)-4-methyl-3-oxidanyl-3-(4-propan-2-ylphenyl)pentanoate

Systemtic Name: (3S)-4-methyl-3-oxidanyl-3-(4-propan-2-ylphenyl)pentanoate Openeye Name: (3S)-3-hydroxy-3-(4-isopropylphenyl)-4-methyl-pentanoate CAS Name: (3S)-3-hydroxy-4-methyl-3-(4-propan-2-ylphenyl)pentanoate IUPAC Name: (3S)-3-hydroxy-4-methyl-3-(4-propan-2-ylphenyl)pentanoate Traditional Name: (3S)-3-hydroxy-4-methyl-3-p-cumenyl-valerate Formula: C15H21O3- MolecularWeight: 249.32544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22O3/c1-10(2)12-5-7-13(8-6-12)15(18,11(3)4)9-14(16)17/h5-8,10-11,18H,9H2,1-4H3,(H,16,17)/p-1/t15-/m0/s1