2-azanyl-1-(3-dodec-1-ynyl-2-fluoranyl-phenyl)propane-1,3-diol; ethanoic acid

Systemtic Name: 2-azanyl-1-(3-dodec-1-ynyl-2-fluoranyl-phenyl)propane-1,3-diol; ethanoic acid Openeye Name: acetic acid; 2-amino-1-(3-dodec-1-ynyl-2-fluoro-phenyl)propane-1,3-diol CAS Name: acetic acid; 2-amino-1-(3-dodec-1-ynyl-2-fluorophenyl)propane-1,3-diol IUPAC Name: acetic acid; 2-amino-1-(3-dodec-1-ynyl-2-fluorophenyl)propane-1,3-diol Traditional Name: acetic acid; 2-amino-1-(3-dodec-1-ynyl-2-fluoro-phenyl)propane-1,3-diol Formula: C23H36FNO4 MolecularWeight: 409.534643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CC1=C(C(=CC=C1)C(C(CO)N)O)F.CC(=O)O

Isomeric SMILES

CCCCCCCCCCC#CC1=C(C(=CC=C1)C(C(CO)N)O)F.CC(=O)O

InChI

InChI=1S/C21H32FNO2.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-15-18(20(17)22)21(25)19(23)16-24;1-2(3)4/h12,14-15,19,21,24-25H,2-10,16,23H2,1H3;1H3,(H,3,4)