(7-tert-butyl-2,2,3-trimethyl-nonadecan-5-yl) 3-cyclohexa-1,3-dien-1-ylpropanoate

Systemtic Name: (7-tert-butyl-2,2,3-trimethyl-nonadecan-5-yl) 3-cyclohexa-1,3-dien-1-ylpropanoate Openeye Name: [3-tert-butyl-1-(2,3,3-trimethylbutyl)pentadecyl] 3-cyclohexa-1,3-dien-1-ylpropanoate CAS Name: 3-(1-cyclohexa-1,3-dienyl)propanoic acid (7-tert-butyl-2,2,3-trimethylnonadecan-5-yl) ester IUPAC Name: (7-tert-butyl-2,2,3-trimethylnonadecan-5-yl) 3-cyclohexa-1,3-dien-1-ylpropanoate Traditional Name: 3-cyclohexa-1,3-dien-1-ylpropionic acid [3-tert-butyl-1-(2,3,3-trimethylbutyl)pentadecyl] ester Formula: C35H64O2 MolecularWeight: 516.88146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CC(CC(C)C(C)(C)C)OC(=O)CCC1=CC=CCC1)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCC(CC(CC(C)C(C)(C)C)OC(=O)CCC1=CC=CCC1)C(C)(C)C

InChI

InChI=1S/C35H64O2/c1-9-10-11-12-13-14-15-16-17-21-24-31(35(6,7)8)28-32(27-29(2)34(3,4)5)37-33(36)26-25-30-22-19-18-20-23-30/h18-19,22,29,31-32H,9-17,20-21,23-28H2,1-8H3