2-(3-oxidanylidene-3-phenylmethoxy-propyl)-2-tetradecyl-propanedioic acid

Systemtic Name: 2-(3-oxidanylidene-3-phenylmethoxy-propyl)-2-tetradecyl-propanedioic acid Openeye Name: 2-(3-benzyloxy-3-oxo-propyl)-2-tetradecyl-propanedioic acid CAS Name: 2-(3-oxo-3-phenylmethoxypropyl)-2-tetradecylpropanedioic acid IUPAC Name: 2-(3-oxo-3-phenylmethoxypropyl)-2-tetradecylpropanedioic acid Traditional Name: 2-(3-benzoxy-3-keto-propyl)-2-myristyl-malonic acid Formula: C27H42O6 MolecularWeight: 462.61878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CCC(=O)OCC1=CC=CC=C1)(C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCC(CCC(=O)OCC1=CC=CC=C1)(C(=O)O)C(=O)O

InChI

InChI=1S/C27H42O6/c1-2-3-4-5-6-7-8-9-10-11-12-16-20-27(25(29)30,26(31)32)21-19-24(28)33-22-23-17-14-13-15-18-23/h13-15,17-18H,2-12,16,19-22H2,1H3,(H,29,30)(H,31,32)