[(3S)-2,2,4-trimethyl-3-pentanoyloxy-pentyl] dodecanoate

Systemtic Name: [(3S)-2,2,4-trimethyl-3-pentanoyloxy-pentyl] dodecanoate Openeye Name: [(3S)-2,2,4-trimethyl-3-pentanoyloxy-pentyl] dodecanoate CAS Name: dodecanoic acid [(3S)-2,2,4-trimethyl-3-(1-oxopentoxy)pentyl] ester IUPAC Name: [(3S)-2,2,4-trimethyl-3-pentanoyloxypentyl] dodecanoate Traditional Name: lauric acid [(3S)-2,2,4-trimethyl-3-valeryloxy-pentyl] ester Formula: C25H48O4 MolecularWeight: 412.64622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OCC(C)(C)C(C(C)C)OC(=O)CCCC

Isomeric SMILES

CCCCCCCCCCCC(=O)OCC(C)(C)[C@H](C(C)C)OC(=O)CCCC

InChI

InChI=1S/C25H48O4/c1-7-9-11-12-13-14-15-16-17-19-22(26)28-20-25(5,6)24(21(3)4)29-23(27)18-10-8-2/h21,24H,7-20H2,1-6H3/t24-/m0/s1