2-[4-(2-methylpropyl)phenyl]propanoate dihydrate

Systemtic Name: 2-[4-(2-methylpropyl)phenyl]propanoate dihydrate Openeye Name: 2-(4-isobutylphenyl)propanoate dihydrate CAS Name: 2-[4-(2-methylpropyl)phenyl]propanoate dihydrate IUPAC Name: 2-[4-(2-methylpropyl)phenyl]propanoate dihydrate Traditional Name: 2-(4-isobutylphenyl)propionate dihydrate Formula: C13H21O4- MolecularWeight: 241.30344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)C(=O)[O-].O.O

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)[O-].O.O

InChI

InChI=1S/C13H18O2.2H2O/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;;/h4-7,9-10H,8H2,1-3H3,(H,14,15);2*1H2/p-1