(E,2S,3R)-2-azanyl-16-(4-iodophenyl)hexadec-4-ene-1,3-diol

Systemtic Name: (E,2S,3R)-2-azanyl-16-(4-iodophenyl)hexadec-4-ene-1,3-diol Openeye Name: (E,2S,3R)-2-amino-16-(4-iodophenyl)hexadec-4-ene-1,3-diol CAS Name: (E,2S,3R)-2-amino-16-(4-iodophenyl)-4-hexadecene-1,3-diol IUPAC Name: (E,2S,3R)-2-amino-16-(4-iodophenyl)hexadec-4-ene-1,3-diol Traditional Name: (E,2S,3R)-2-amino-16-(4-iodophenyl)hexadec-4-ene-1,3-diol Formula: C22H36INO2 MolecularWeight: 473.43121

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCCCCCCCCCC=CC(C(CO)N)O)I

Isomeric SMILES

C1=CC(=CC=C1CCCCCCCCCCC/C=C/[C@H]([C@H](CO)N)O)I

InChI

InChI=1S/C22H36INO2/c23-20-16-14-19(15-17-20)12-10-8-6-4-2-1-3-5-7-9-11-13-22(26)21(24)18-25/h11,13-17,21-22,25-26H,1-10,12,18,24H2/b13-11+/t21-,22+/m0/s1