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

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

Systemtic Name:2-azanyl-1-(3-dodec-1-ynylphenyl)propane-1,3-diol; ethanoic acid
Openeye Name:acetic acid; 2-amino-1-(3-dodec-1-ynylphenyl)propane-1,3-diol
CAS Name:acetic acid; 2-amino-1-(3-dodec-1-ynylphenyl)propane-1,3-diol
IUPAC Name:acetic acid; 2-amino-1-(3-dodec-1-ynylphenyl)propane-1,3-diol
Traditional Name:acetic acid; 2-amino-1-(3-dodec-1-ynylphenyl)propane-1,3-diol
Formula: C23H37NO4
MolecularWeight: 391.54418
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C21H33NO2.C2H4O2/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;1-2(3)4/h12,14-16,20-21,23-24H,2-10,17,22H2,1H3;1H3,(H,3,4)


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