(7-tert-butyl-2,2,3-trimethyl-heptadecan-5-yl) cyclohexa-1,3-diene-1-carboxylate

Systemtic Name: (7-tert-butyl-2,2,3-trimethyl-heptadecan-5-yl) cyclohexa-1,3-diene-1-carboxylate Openeye Name: [3-tert-butyl-1-(2,3,3-trimethylbutyl)tridecyl] cyclohexa-1,3-diene-1-carboxylate CAS Name: 1-cyclohexa-1,3-dienecarboxylic acid (7-tert-butyl-2,2,3-trimethylheptadecan-5-yl) ester IUPAC Name: (7-tert-butyl-2,2,3-trimethylheptadecan-5-yl) cyclohexa-1,3-diene-1-carboxylate Traditional Name: cyclohexa-1,3-diene-1-carboxylic acid [3-tert-butyl-1-(2,3,3-trimethylbutyl)tridecyl] ester Formula: C31H56O2 MolecularWeight: 460.77514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CC(CC(C)C(C)(C)C)OC(=O)C1=CC=CCC1)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCC(CC(CC(C)C(C)(C)C)OC(=O)C1=CC=CCC1)C(C)(C)C

InChI

InChI=1S/C31H56O2/c1-9-10-11-12-13-14-15-19-22-27(31(6,7)8)24-28(23-25(2)30(3,4)5)33-29(32)26-20-17-16-18-21-26/h16-17,20,25,27-28H,9-15,18-19,21-24H2,1-8H3