2-azanyl-1-(3-dodec-1-ynylphenyl)propane-1,3-diol

Systemtic Name: 2-azanyl-1-(3-dodec-1-ynylphenyl)propane-1,3-diol Openeye Name: 2-amino-1-(3-dodec-1-ynylphenyl)propane-1,3-diol CAS Name: 2-amino-1-(3-dodec-1-ynylphenyl)propane-1,3-diol IUPAC Name: 2-amino-1-(3-dodec-1-ynylphenyl)propane-1,3-diol Traditional Name: 2-amino-1-(3-dodec-1-ynylphenyl)propane-1,3-diol Formula: C21H33NO2 MolecularWeight: 331.49222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33NO2/c1-2-3-4-5-6-7-8-9-10-11-13-18-14-12-15-19(16-18)21(24)20(22)17-23/h12,14-16,20-21,23-24H,2-10,17,22H2,1H3