[(3S,4S,8R)-8-ethyl-3-[(3S)-octan-3-yl]-4-propyl-undecyl] octadecanoate

Systemtic Name: [(3S,4S,8R)-8-ethyl-3-[(3S)-octan-3-yl]-4-propyl-undecyl] octadecanoate Openeye Name: [(3S,4S,8R)-8-ethyl-3-[(1S)-1-ethylhexyl]-4-propyl-undecyl] octadecanoate CAS Name: octadecanoic acid [(3S,4S,8R)-8-ethyl-3-[(3S)-octan-3-yl]-4-propylundecyl] ester IUPAC Name: [(3S,4S,8R)-8-ethyl-3-[(3S)-octan-3-yl]-4-propylundecyl] octadecanoate Traditional Name: stearic acid [(3S,4S,8R)-8-ethyl-3-[(1S)-1-ethylhexyl]-4-propyl-undecyl] ester Formula: C42H84O2 MolecularWeight: 621.11516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCCC(C(CC)CCCCC)C(CCC)CCCC(CC)CCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC[C@@H]([C@@H](CC)CCCCC)[C@@H](CCC)CCC[C@H](CC)CCC

InChI

InChI=1S/C42H84O2/c1-7-13-15-16-17-18-19-20-21-22-23-24-25-26-28-35-42(43)44-37-36-41(39(12-6)33-27-14-8-2)40(31-10-4)34-29-32-38(11-5)30-9-3/h38-41H,7-37H2,1-6H3/t38-,39+,40+,41+/m1/s1