2-octyl-2-phenethyl-propanedioic acid

Systemtic Name: 2-octyl-2-phenethyl-propanedioic acid Openeye Name: 2-octyl-2-phenethyl-propanedioic acid CAS Name: 2-octyl-2-phenethylpropanedioic acid IUPAC Name: 2-octyl-2-phenethylpropanedioic acid Traditional Name: 2-octyl-2-phenethyl-malonic acid Formula: C19H28O4 MolecularWeight: 320.42322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28O4/c1-2-3-4-5-6-10-14-19(17(20)21,18(22)23)15-13-16-11-8-7-9-12-16/h7-9,11-12H,2-6,10,13-15H2,1H3,(H,20,21)(H,22,23)