名称: monoisobutylphthalic acid

IUPAC: 3-(2-methylpropyl)phthalic acid

SMILES: CC(C)Cc1cccc(C(=O)O)c1C(=O)O

Canonical SMILES: CC(C)CC1=C(C(=CC=C1)C(=O)O)C(=O)O

分子式: C12H14O4

分子量: 222.24

InChIKey: WXVFMRKUWGIPRB-UHFFFAOYSA-N

InChI: InChI=1S/C12H14O4/c1-7(2)6-8-4-3-5-9(11(13)14)10(8)12(15)16/h3-5,7H,6H2,1-2H3,(H,13,14)(H,15,16)

同义词

Monoisobutylphthalic AcidSCHEMBL901261WXVFMRKUWGIPRB-UHFFFAOYSA-NNS00014605Q63395726