(E,2S,3R)-2-(4-butyl-1,2,3-triazol-1-yl)octadec-4-ene-1,3-diol

Systemtic Name: (E,2S,3R)-2-(4-butyl-1,2,3-triazol-1-yl)octadec-4-ene-1,3-diol Openeye Name: (E,2S,3R)-2-(4-butyltriazol-1-yl)octadec-4-ene-1,3-diol CAS Name: (E,2S,3R)-2-(4-butyl-1-triazolyl)-4-octadecene-1,3-diol IUPAC Name: (E,2S,3R)-2-(4-butyltriazol-1-yl)octadec-4-ene-1,3-diol Traditional Name: (E,2S,3R)-2-(4-butyltriazol-1-yl)octadec-4-ene-1,3-diol Formula: C24H45N3O2 MolecularWeight: 407.633

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(CO)N1C=C(N=N1)CCCC)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N1C=C(N=N1)CCCC)O

InChI

InChI=1S/C24H45N3O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-24(29)23(21-28)27-20-22(25-26-27)18-6-4-2/h17,19-20,23-24,28-29H,3-16,18,21H2,1-2H3/b19-17+/t23-,24+/m0/s1