2-(4-butan-2-ylphenyl)-3-oxidanyl-propanoic acid

Systemtic Name: 2-(4-butan-2-ylphenyl)-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-(4-sec-butylphenyl)propanoic acid CAS Name: 2-(4-butan-2-ylphenyl)-3-hydroxypropanoic acid IUPAC Name: 2-(4-butan-2-ylphenyl)-3-hydroxypropanoic acid Traditional Name: 3-hydroxy-2-(4-sec-butylphenyl)propionic acid Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(CO)C(=O)O

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(CO)C(=O)O

InChI

InChI=1S/C13H18O3/c1-3-9(2)10-4-6-11(7-5-10)12(8-14)13(15)16/h4-7,9,12,14H,3,8H2,1-2H3,(H,15,16)