1-[1-[2,4-bis(bromanyl)phenoxy]-6-tert-butyl-6-propoxy-5-prop-2-ynyl-dec-8-yn-5-yl]-1,2,4-triazole

Systemtic Name: 1-[1-[2,4-bis(bromanyl)phenoxy]-6-tert-butyl-6-propoxy-5-prop-2-ynyl-dec-8-yn-5-yl]-1,2,4-triazole Openeye Name: 1-[2-tert-butyl-1-[4-(2,4-dibromophenoxy)butyl]-2-propoxy-1-prop-2-ynyl-hex-4-ynyl]-1,2,4-triazole CAS Name: 1-[6-tert-butyl-1-(2,4-dibromophenoxy)-6-propoxy-5-prop-2-ynyldec-8-yn-5-yl]-1,2,4-triazole IUPAC Name: 1-[6-tert-butyl-1-(2,4-dibromophenoxy)-6-propoxy-5-prop-2-ynyldec-8-yn-5-yl]-1,2,4-triazole Traditional Name: 1-[2-tert-butyl-1-[4-(2,4-dibromophenoxy)butyl]-1-propargyl-2-propoxy-hex-4-ynyl]-1,2,4-triazole Formula: C28H37Br2N3O2 MolecularWeight: 607.42028

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(CC#CC)(C(C)(C)C)C(CCCCOC1=C(C=C(C=C1)Br)Br)(CC#C)N2C=NC=N2

Isomeric SMILES

CCCOC(CC#CC)(C(C)(C)C)C(CCCCOC1=C(C=C(C=C1)Br)Br)(CC#C)N2C=NC=N2

InChI

InChI=1S/C28H37Br2N3O2/c1-7-10-17-28(26(4,5)6,35-18-9-3)27(15-8-2,33-22-31-21-32-33)16-11-12-19-34-25-14-13-23(29)20-24(25)30/h2,13-14,20-22H,9,11-12,15-19H2,1,3-6H3