(4S)-4-(4-methoxy-2,5-dimethyl-phenyl)-4-oxidanyl-butanoate

Systemtic Name: (4S)-4-(4-methoxy-2,5-dimethyl-phenyl)-4-oxidanyl-butanoate Openeye Name: (4S)-4-hydroxy-4-(4-methoxy-2,5-dimethyl-phenyl)butanoate CAS Name: (4S)-4-hydroxy-4-(4-methoxy-2,5-dimethylphenyl)butanoate IUPAC Name: (4S)-4-hydroxy-4-(4-methoxy-2,5-dimethylphenyl)butanoate Traditional Name: (4S)-4-hydroxy-4-(4-methoxy-2,5-dimethyl-phenyl)butyrate Formula: C13H17O4- MolecularWeight: 237.27168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(CCC(=O)[O-])O)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1[C@H](CCC(=O)[O-])O)C)OC

InChI

InChI=1S/C13H18O4/c1-8-7-12(17-3)9(2)6-10(8)11(14)4-5-13(15)16/h6-7,11,14H,4-5H2,1-3H3,(H,15,16)/p-1/t11-/m0/s1