2-ethanoyl-3-(4-hexadecoxyphenyl)-5-phenyl-cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-ethanoyl-3-(4-hexadecoxyphenyl)-5-phenyl-cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-acetyl-3-(4-hexadecoxyphenyl)-5-phenyl-1,4-benzoquinone CAS Name: 2-acetyl-3-(4-hexadecoxyphenyl)-5-phenylcyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-acetyl-3-(4-hexadecoxyphenyl)-5-phenylcyclohexa-2,5-diene-1,4-dione Traditional Name: 2-acetyl-3-(4-cetyloxyphenyl)-5-phenyl-p-benzoquinone Formula: C36H46O4 MolecularWeight: 542.74804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=C(C(=O)C=C(C2=O)C3=CC=CC=C3)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=C(C(=O)C=C(C2=O)C3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C36H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-26-40-31-24-22-30(23-25-31)35-34(28(2)37)33(38)27-32(36(35)39)29-20-17-16-18-21-29/h16-18,20-25,27H,3-15,19,26H2,1-2H3