1,3-bis(2,5-dioctoxyphenyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 1,3-bis(2,5-dioctoxyphenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 1,3-bis(2,5-dioctoxyphenyl)hexahydropyrimidine-2,4,6-trione CAS Name: 1,3-bis(2,5-dioctoxyphenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 1,3-bis(2,5-dioctoxyphenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 1,3-bis(2,5-dioctoxyphenyl)barbituric acid Formula: C48H76N2O7 MolecularWeight: 793.12624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C(C=C1)OCCCCCCCC)N2C(=O)CC(=O)N(C2=O)C3=C(C=CC(=C3)OCCCCCCCC)OCCCCCCCC

Isomeric SMILES

CCCCCCCCOC1=CC(=C(C=C1)OCCCCCCCC)N2C(=O)CC(=O)N(C2=O)C3=C(C=CC(=C3)OCCCCCCCC)OCCCCCCCC

InChI

InChI=1S/C48H76N2O7/c1-5-9-13-17-21-25-33-54-40-29-31-44(56-35-27-23-19-15-11-7-3)42(37-40)49-46(51)39-47(52)50(48(49)53)43-38-41(55-34-26-22-18-14-10-6-2)30-32-45(43)57-36-28-24-20-16-12-8-4/h29-32,37-38H,5-28,33-36,39H2,1-4H3