hexadecanoate; 2-[4-(2-methylpropyl)phenyl]propanoic acid

Systemtic Name: hexadecanoate; 2-[4-(2-methylpropyl)phenyl]propanoic acid Openeye Name: hexadecanoate; 2-(4-isobutylphenyl)propanoic acid CAS Name: hexadecanoate; 2-[4-(2-methylpropyl)phenyl]propanoic acid IUPAC Name: hexadecanoate; 2-[4-(2-methylpropyl)phenyl]propanoic acid Traditional Name: 2-(4-isobutylphenyl)propionic acid; palmitate Formula: C29H49O4- MolecularWeight: 461.69696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H32O2.C13H18O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h2-15H2,1H3,(H,17,18);4-7,9-10H,8H2,1-3H3,(H,14,15)/p-1