icosan-9-yl docosanoate; (phenylmethyl) dodecanoate

Systemtic Name: icosan-9-yl docosanoate; (phenylmethyl) dodecanoate Openeye Name: benzyl dodecanoate; 1-octyldodecyl docosanoate CAS Name: docosanoic acid eicosan-9-yl ester; dodecanoic acid (phenylmethyl) ester IUPAC Name: benzyl dodecanoate; icosan-9-yl docosanoate Traditional Name: behenic acid 1-octyldodecyl ester; lauric acid benzyl ester Formula: C61H114O4 MolecularWeight: 911.55546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCCCCC.CCCCCCCCCCCC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCCCCC.CCCCCCCCCCCC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C42H84O2.C19H30O2/c1-4-7-10-13-16-18-19-20-21-22-23-24-25-26-27-29-31-34-37-40-42(43)44-41(38-35-32-15-12-9-6-3)39-36-33-30-28-17-14-11-8-5-2;1-2-3-4-5-6-7-8-9-13-16-19(20)21-17-18-14-11-10-12-15-18/h41H,4-40H2,1-3H3;10-12,14-15H,2-9,13,16-17H2,1H3