6-(3,7-dimethyloct-6-enyl)-6-(dodecylcarbamoyl)cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: 6-(3,7-dimethyloct-6-enyl)-6-(dodecylcarbamoyl)cyclohexa-2,4-diene-1-carboxylate Openeye Name: 6-(3,7-dimethyloct-6-enyl)-6-(dodecylcarbamoyl)cyclohexa-2,4-diene-1-carboxylate CAS Name: 6-(3,7-dimethyloct-6-enyl)-6-[(dodecylamino)-oxomethyl]-1-cyclohexa-2,4-dienecarboxylate IUPAC Name: 6-(3,7-dimethyloct-6-enyl)-6-(dodecylcarbamoyl)cyclohexa-2,4-diene-1-carboxylate Traditional Name: 6-(3,7-dimethyloct-6-enyl)-6-(laurylcarbamoyl)cyclohexa-2,4-diene-1-carboxylate Formula: C30H50NO3- MolecularWeight: 472.7229

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=O)C1(C=CC=CC1C(=O)[O-])CCC(C)CCC=C(C)C

Isomeric SMILES

CCCCCCCCCCCCNC(=O)C1(C=CC=CC1C(=O)[O-])CCC(C)CCC=C(C)C

InChI

InChI=1S/C30H51NO3/c1-5-6-7-8-9-10-11-12-13-16-24-31-29(34)30(22-15-14-20-27(30)28(32)33)23-21-26(4)19-17-18-25(2)3/h14-15,18,20,22,26-27H,5-13,16-17,19,21,23-24H2,1-4H3,(H,31,34)(H,32,33)/p-1