4-[3-(4-chlorophenyl)-4-oxidanyl-6-phenyl-5H-1,2,4-triazin-5-yl]-6-hexyl-benzene-1,3-diol

Systemtic Name: 4-[3-(4-chlorophenyl)-4-oxidanyl-6-phenyl-5H-1,2,4-triazin-5-yl]-6-hexyl-benzene-1,3-diol Openeye Name: 4-[3-(4-chlorophenyl)-4-hydroxy-6-phenyl-5H-1,2,4-triazin-5-yl]-6-hexyl-benzene-1,3-diol CAS Name: 4-[3-(4-chlorophenyl)-4-hydroxy-6-phenyl-5H-1,2,4-triazin-5-yl]-6-hexylbenzene-1,3-diol IUPAC Name: 4-[3-(4-chlorophenyl)-4-hydroxy-6-phenyl-5H-1,2,4-triazin-5-yl]-6-hexylbenzene-1,3-diol Traditional Name: 4-[3-(4-chlorophenyl)-4-hydroxy-6-phenyl-5H-1,2,4-triazin-5-yl]-6-hexyl-resorcinol Formula: C27H28ClN3O3 MolecularWeight: 477.98252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C(C(=C1)C2C(=NN=C(N2O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)O)O

Isomeric SMILES

CCCCCCC1=C(C=C(C(=C1)C2C(=NN=C(N2O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)O)O

InChI

InChI=1S/C27H28ClN3O3/c1-2-3-4-6-11-20-16-22(24(33)17-23(20)32)26-25(18-9-7-5-8-10-18)29-30-27(31(26)34)19-12-14-21(28)15-13-19/h5,7-10,12-17,26,32-34H,2-4,6,11H2,1H3