(E,2S,3R)-2-azanyl-18-(4-iodophenyl)octadec-4-ene-1,3-diol

Systemtic Name: (E,2S,3R)-2-azanyl-18-(4-iodophenyl)octadec-4-ene-1,3-diol Openeye Name: (E,2S,3R)-2-amino-18-(4-iodophenyl)octadec-4-ene-1,3-diol CAS Name: (E,2S,3R)-2-amino-18-(4-iodophenyl)-4-octadecene-1,3-diol IUPAC Name: (E,2S,3R)-2-amino-18-(4-iodophenyl)octadec-4-ene-1,3-diol Traditional Name: (E,2S,3R)-2-amino-18-(4-iodophenyl)octadec-4-ene-1,3-diol Formula: C24H40INO2 MolecularWeight: 501.48437

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCCCCCCCCCCCC=CC(C(CO)N)O)I

Isomeric SMILES

C1=CC(=CC=C1CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N)O)I

InChI

InChI=1S/C24H40INO2/c25-22-18-16-21(17-19-22)14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-24(28)23(26)20-27/h13,15-19,23-24,27-28H,1-12,14,20,26H2/b15-13+/t23-,24+/m0/s1