[8-[2,4-bis(trifluoromethyl)phenoxy]-3-tert-butyl-4-ethenyl-4-(1,2,4-triazol-1-yl)oct-1-en-3-yl] benzenesulfonate

Systemtic Name: [8-[2,4-bis(trifluoromethyl)phenoxy]-3-tert-butyl-4-ethenyl-4-(1,2,4-triazol-1-yl)oct-1-en-3-yl] benzenesulfonate Openeye Name: [6-[2,4-bis(trifluoromethyl)phenoxy]-1-tert-butyl-2-(1,2,4-triazol-1-yl)-1,2-divinyl-hexyl] benzenesulfonate CAS Name: benzenesulfonic acid [8-[2,4-bis(trifluoromethyl)phenoxy]-3-tert-butyl-4-ethenyl-4-(1,2,4-triazol-1-yl)oct-1-en-3-yl] ester IUPAC Name: [8-[2,4-bis(trifluoromethyl)phenoxy]-3-tert-butyl-4-ethenyl-4-(1,2,4-triazol-1-yl)oct-1-en-3-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-[4-[2,4-bis(trifluoromethyl)phenoxy]butyl]-1-tert-butyl-2-(1,2,4-triazol-1-yl)-1-vinyl-but-3-enyl] ester Formula: C30H33F6N3O4S MolecularWeight: 645.656139

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C=C)(C(CCCCOC1=C(C=C(C=C1)C(F)(F)F)C(F)(F)F)(C=C)N2C=NC=N2)OS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(C=C)(C(CCCCOC1=C(C=C(C=C1)C(F)(F)F)C(F)(F)F)(C=C)N2C=NC=N2)OS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C30H33F6N3O4S/c1-6-27(39-21-37-20-38-39,28(7-2,26(3,4)5)43-44(40,41)23-13-9-8-10-14-23)17-11-12-18-42-25-16-15-22(29(31,32)33)19-24(25)30(34,35)36/h6-10,13-16,19-21H,1-2,11-12,17-18H2,3-5H3