2-chloranyl-4,6-bis(4-phenoxyphenyl)-1,3,5-triazine; 4-hexylbenzene-1,3-diol

Systemtic Name: 2-chloranyl-4,6-bis(4-phenoxyphenyl)-1,3,5-triazine; 4-hexylbenzene-1,3-diol Openeye Name: 2-chloro-4,6-bis(4-phenoxyphenyl)-1,3,5-triazine; 4-hexylbenzene-1,3-diol CAS Name: 2-chloro-4,6-bis(4-phenoxyphenyl)-1,3,5-triazine; 4-hexylbenzene-1,3-diol IUPAC Name: 2-chloro-4,6-bis(4-phenoxyphenyl)-1,3,5-triazine; 4-hexylbenzene-1,3-diol Traditional Name: 2-chloro-4,6-bis(4-phenoxyphenyl)-s-triazine; 4-hexylresorcinol Formula: C39H36ClN3O4 MolecularWeight: 646.17384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C(C=C1)O)O.C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=NC(=NC(=N3)Cl)C4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CCCCCCC1=C(C=C(C=C1)O)O.C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=NC(=NC(=N3)Cl)C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C27H18ClN3O2.C12H18O2/c28-27-30-25(19-11-15-23(16-12-19)32-21-7-3-1-4-8-21)29-26(31-27)20-13-17-24(18-14-20)33-22-9-5-2-6-10-22;1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h1-18H;7-9,13-14H,2-6H2,1H3