2-azanyl-1-(5-dodec-1-ynylthiophen-2-yl)propane-1,3-diol; ethanoic acid

Systemtic Name: 2-azanyl-1-(5-dodec-1-ynylthiophen-2-yl)propane-1,3-diol; ethanoic acid Openeye Name: acetic acid; 2-amino-1-(5-dodec-1-ynyl-2-thienyl)propane-1,3-diol CAS Name: acetic acid; 2-amino-1-(5-dodec-1-ynyl-2-thiophenyl)propane-1,3-diol IUPAC Name: acetic acid; 2-amino-1-(5-dodec-1-ynylthiophen-2-yl)propane-1,3-diol Traditional Name: acetic acid; 2-amino-1-(5-dodec-1-ynyl-2-thienyl)propane-1,3-diol Formula: C21H35NO4S MolecularWeight: 397.5719

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CC1=CC=C(S1)C(C(CO)N)O.CC(=O)O

Isomeric SMILES

CCCCCCCCCCC#CC1=CC=C(S1)C(C(CO)N)O.CC(=O)O

InChI

InChI=1S/C19H31NO2S.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-18(23-16)19(22)17(20)15-21;1-2(3)4/h13-14,17,19,21-22H,2-10,15,20H2,1H3;1H3,(H,3,4)