3,7,7-trimethyloctyl 2,5,5-trimethylhexanoate

Systemtic Name: 3,7,7-trimethyloctyl 2,5,5-trimethylhexanoate Openeye Name: 3,7,7-trimethyloctyl 2,5,5-trimethylhexanoate CAS Name: 2,5,5-trimethylhexanoic acid 3,7,7-trimethyloctyl ester IUPAC Name: 3,7,7-trimethyloctyl 2,5,5-trimethylhexanoate Traditional Name: 2,5,5-trimethylhexanoic acid 3,7,7-trimethyloctyl ester Formula: C20H40O2 MolecularWeight: 312.5304

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)(C)C)CCOC(=O)C(C)CCC(C)(C)C

Isomeric SMILES

CC(CCCC(C)(C)C)CCOC(=O)C(C)CCC(C)(C)C

InChI

InChI=1S/C20H40O2/c1-16(10-9-13-19(3,4)5)12-15-22-18(21)17(2)11-14-20(6,7)8/h16-17H,9-15H2,1-8H3