2-octyl-2-(phenylmethyl)propanedioic acid

Systemtic Name: 2-octyl-2-(phenylmethyl)propanedioic acid Openeye Name: 2-benzyl-2-octyl-propanedioic acid CAS Name: 2-octyl-2-(phenylmethyl)propanedioic acid IUPAC Name: 2-benzyl-2-octylpropanedioic acid Traditional Name: 2-benzyl-2-octyl-malonic acid Formula: C18H26O4 MolecularWeight: 306.39664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CC1=CC=CC=C1)(C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCC(CC1=CC=CC=C1)(C(=O)O)C(=O)O

InChI

InChI=1S/C18H26O4/c1-2-3-4-5-6-10-13-18(16(19)20,17(21)22)14-15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3,(H,19,20)(H,21,22)