3-hexadec-15-ynyl-4-methyl-1-(4-methylphenyl)pyrrole-2,5-dione

Systemtic Name: 3-hexadec-15-ynyl-4-methyl-1-(4-methylphenyl)pyrrole-2,5-dione Openeye Name: 3-hexadec-15-ynyl-4-methyl-1-(p-tolyl)pyrrole-2,5-dione CAS Name: 3-hexadec-15-ynyl-4-methyl-1-(4-methylphenyl)pyrrole-2,5-dione IUPAC Name: 3-hexadec-15-ynyl-4-methyl-1-(4-methylphenyl)pyrrole-2,5-dione Traditional Name: 3-hexadec-15-ynyl-4-methyl-1-(p-tolyl)-3-pyrroline-2,5-quinone Formula: C28H39NO2 MolecularWeight: 421.61476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)CCCCCCCCCCCCCCC#C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)CCCCCCCCCCCCCCC#C)C

InChI

InChI=1S/C28H39NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-24(3)27(30)29(28(26)31)25-21-19-23(2)20-22-25/h1,19-22H,5-18H2,2-3H3