2-[4-(2-methylpropyl)cyclohexa-2,4-dien-1-yl]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[4-(2-methylpropyl)cyclohexa-2,4-dien-1-yl]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-(4-isobutylcyclohexa-2,4-dien-1-yl)propanoic acid CAS Name: 3-hydroxy-2-[4-(2-methylpropyl)-1-cyclohexa-2,4-dienyl]propanoic acid IUPAC Name: 3-hydroxy-2-[4-(2-methylpropyl)cyclohexa-2,4-dien-1-yl]propanoic acid Traditional Name: 3-hydroxy-2-(4-isobutylcyclohexa-2,4-dien-1-yl)propionic acid Formula: C13H20O3 MolecularWeight: 224.2961

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CCC(C=C1)C(CO)C(=O)O

Isomeric SMILES

CC(C)CC1=CCC(C=C1)C(CO)C(=O)O

InChI

InChI=1S/C13H20O3/c1-9(2)7-10-3-5-11(6-4-10)12(8-14)13(15)16/h3-5,9,11-12,14H,6-8H2,1-2H3,(H,15,16)