phenyl 4-[4,6-bis(4-phenoxycarbonylphenyl)-1,3,5-triazin-2-yl]benzoate

Systemtic Name: phenyl 4-[4,6-bis(4-phenoxycarbonylphenyl)-1,3,5-triazin-2-yl]benzoate Openeye Name: phenyl 4-[4,6-bis(4-phenoxycarbonylphenyl)-1,3,5-triazin-2-yl]benzoate CAS Name: 4-[4,6-bis[4-[oxo(phenoxy)methyl]phenyl]-1,3,5-triazin-2-yl]benzoic acid phenyl ester IUPAC Name: phenyl 4-[4,6-bis(4-phenoxycarbonylphenyl)-1,3,5-triazin-2-yl]benzoate Traditional Name: 4-[4,6-bis(4-carbophenoxyphenyl)-s-triazin-2-yl]benzoic acid phenyl ester Formula: C42H27N3O6 MolecularWeight: 669.68028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=NC(=NC(=N3)C4=CC=C(C=C4)C(=O)OC5=CC=CC=C5)C6=CC=C(C=C6)C(=O)OC7=CC=CC=C7

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=NC(=NC(=N3)C4=CC=C(C=C4)C(=O)OC5=CC=CC=C5)C6=CC=C(C=C6)C(=O)OC7=CC=CC=C7

InChI

InChI=1S/C42H27N3O6/c46-40(49-34-10-4-1-5-11-34)31-22-16-28(17-23-31)37-43-38(29-18-24-32(25-19-29)41(47)50-35-12-6-2-7-13-35)45-39(44-37)30-20-26-33(27-21-30)42(48)51-36-14-8-3-9-15-36/h1-27H