(E,2S,3R)-2-azanyl-15-methyl-heptadec-4-ene-1,3-diol

Systemtic Name: (E,2S,3R)-2-azanyl-15-methyl-heptadec-4-ene-1,3-diol Openeye Name: (E,2S,3R)-2-amino-15-methyl-heptadec-4-ene-1,3-diol CAS Name: (E,2S,3R)-2-amino-15-methyl-4-heptadecene-1,3-diol IUPAC Name: (E,2S,3R)-2-amino-15-methylheptadec-4-ene-1,3-diol Traditional Name: (E,2S,3R)-2-amino-15-methyl-heptadec-4-ene-1,3-diol Formula: C18H37NO2 MolecularWeight: 299.49188

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCCCCCCCCC=CC(C(CO)N)O

Isomeric SMILES

CCC(C)CCCCCCCCC/C=C/[C@H]([C@H](CO)N)O

InChI

InChI=1S/C18H37NO2/c1-3-16(2)13-11-9-7-5-4-6-8-10-12-14-18(21)17(19)15-20/h12,14,16-18,20-21H,3-11,13,15,19H2,1-2H3/b14-12+/t16?,17-,18+/m0/s1