(2S)-3-methyl-2-[4-(3-oxidanylidenebutyl)phenoxy]butanoate

Systemtic Name: (2S)-3-methyl-2-[4-(3-oxidanylidenebutyl)phenoxy]butanoate Openeye Name: (2S)-3-methyl-2-[4-(3-oxobutyl)phenoxy]butanoate CAS Name: (2S)-3-methyl-2-[4-(3-oxobutyl)phenoxy]butanoate IUPAC Name: (2S)-3-methyl-2-[4-(3-oxobutyl)phenoxy]butanoate Traditional Name: (2S)-2-[4-(3-ketobutyl)phenoxy]-3-methyl-butyrate Formula: C15H19O4- MolecularWeight: 263.30896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])OC1=CC=C(C=C1)CCC(=O)C

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])OC1=CC=C(C=C1)CCC(=O)C

InChI

InChI=1S/C15H20O4/c1-10(2)14(15(17)18)19-13-8-6-12(7-9-13)5-4-11(3)16/h6-10,14H,4-5H2,1-3H3,(H,17,18)/p-1/t14-/m0/s1