3-[3-(3-methylbutyl)-4-oxidanyl-phenyl]propanoic acid

Systemtic Name: 3-[3-(3-methylbutyl)-4-oxidanyl-phenyl]propanoic acid Openeye Name: 3-(4-hydroxy-3-isopentyl-phenyl)propanoic acid CAS Name: 3-[4-hydroxy-3-(3-methylbutyl)phenyl]propanoic acid IUPAC Name: 3-[4-hydroxy-3-(3-methylbutyl)phenyl]propanoic acid Traditional Name: 3-(4-hydroxy-3-isoamyl-phenyl)propionic acid Formula: C14H20O3 MolecularWeight: 236.3068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C(C=CC(=C1)CCC(=O)O)O

Isomeric SMILES

CC(C)CCC1=C(C=CC(=C1)CCC(=O)O)O

InChI

InChI=1S/C14H20O3/c1-10(2)3-6-12-9-11(4-7-13(12)15)5-8-14(16)17/h4,7,9-10,15H,3,5-6,8H2,1-2H3,(H,16,17)