2-dodecyloctadecanedioic acid; (phenylmethyl) dodecanoate

Systemtic Name: 2-dodecyloctadecanedioic acid; (phenylmethyl) dodecanoate Openeye Name: benzyl dodecanoate; 2-dodecyloctadecanedioic acid CAS Name: dodecanoic acid (phenylmethyl) ester; 2-dodecyloctadecanedioic acid IUPAC Name: benzyl dodecanoate; 2-dodecyloctadecanedioic acid Traditional Name: lauric acid benzyl ester; 2-lauryloctadecanedioic acid Formula: C49H88O6 MolecularWeight: 773.21942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCCCCCCCCCCCCCCC(=O)O)C(=O)O.CCCCCCCCCCCC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCC(CCCCCCCCCCCCCCCC(=O)O)C(=O)O.CCCCCCCCCCCC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C30H58O4.C19H30O2/c1-2-3-4-5-6-7-13-16-19-22-25-28(30(33)34)26-23-20-17-14-11-9-8-10-12-15-18-21-24-27-29(31)32;1-2-3-4-5-6-7-8-9-13-16-19(20)21-17-18-14-11-10-12-15-18/h28H,2-27H2,1H3,(H,31,32)(H,33,34);10-12,14-15H,2-9,13,16-17H2,1H3