1-(dimethylamino)-1-(5-dodec-1-ynylthiophen-2-yl)propane-1,3-diol

Systemtic Name: 1-(dimethylamino)-1-(5-dodec-1-ynylthiophen-2-yl)propane-1,3-diol Openeye Name: 1-(dimethylamino)-1-(5-dodec-1-ynyl-2-thienyl)propane-1,3-diol CAS Name: 1-(dimethylamino)-1-(5-dodec-1-ynyl-2-thiophenyl)propane-1,3-diol IUPAC Name: 1-(dimethylamino)-1-(5-dodec-1-ynylthiophen-2-yl)propane-1,3-diol Traditional Name: 1-(dimethylamino)-1-(5-dodec-1-ynyl-2-thienyl)propane-1,3-diol Formula: C21H35NO2S MolecularWeight: 365.5731

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CC1=CC=C(S1)C(CCO)(N(C)C)O

Isomeric SMILES

CCCCCCCCCCC#CC1=CC=C(S1)C(CCO)(N(C)C)O

InChI

InChI=1S/C21H35NO2S/c1-4-5-6-7-8-9-10-11-12-13-14-19-15-16-20(25-19)21(24,17-18-23)22(2)3/h15-16,23-24H,4-12,17-18H2,1-3H3