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

Systemtic Name: 2-azanyl-1-(5-tridec-1-ynylthiophen-2-yl)propane-1,3-diol; ethanoic acid Openeye Name: acetic acid; 2-amino-1-(5-tridec-1-ynyl-2-thienyl)propane-1,3-diol CAS Name: acetic acid; 2-amino-1-(5-tridec-1-ynyl-2-thiophenyl)propane-1,3-diol IUPAC Name: acetic acid; 2-amino-1-(5-tridec-1-ynylthiophen-2-yl)propane-1,3-diol Traditional Name: acetic acid; 2-amino-1-(5-tridec-1-ynyl-2-thienyl)propane-1,3-diol Formula: C22H37NO4S MolecularWeight: 411.59848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33NO2S.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-14-15-19(24-17)20(23)18(21)16-22;1-2(3)4/h14-15,18,20,22-23H,2-11,16,21H2,1H3;1H3,(H,3,4)