3-(4-hexadecoxyphenyl)pyrrole-2,5-dione

Systemtic Name: 3-(4-hexadecoxyphenyl)pyrrole-2,5-dione Openeye Name: 3-(4-hexadecoxyphenyl)pyrrole-2,5-dione CAS Name: 3-(4-hexadecoxyphenyl)pyrrole-2,5-dione IUPAC Name: 3-(4-hexadecoxyphenyl)pyrrole-2,5-dione Traditional Name: 3-(4-cetyloxyphenyl)-3-pyrroline-2,5-quinone Formula: C26H39NO3 MolecularWeight: 413.59276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=CC(=O)NC2=O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=CC(=O)NC2=O

InChI

InChI=1S/C26H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-30-23-18-16-22(17-19-23)24-21-25(28)27-26(24)29/h16-19,21H,2-15,20H2,1H3,(H,27,28,29)