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

Systemtic Name: 2-azanyl-1-(5-dodec-1-ynylthiophen-3-yl)propane-1,3-diol; (E)-but-2-enedioic acid Openeye Name: 2-amino-1-(5-dodec-1-ynyl-3-thienyl)propane-1,3-diol; fumaric acid CAS Name: 2-amino-1-(5-dodec-1-ynyl-3-thiophenyl)propane-1,3-diol; (E)-2-butenedioic acid IUPAC Name: 2-amino-1-(5-dodec-1-ynylthiophen-3-yl)propane-1,3-diol; (E)-but-2-enedioic acid Traditional Name: 2-amino-1-(5-dodec-1-ynyl-3-thienyl)propane-1,3-diol; fumaric acid Formula: C23H35NO6S MolecularWeight: 453.5921

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CC1=CC(=CS1)C(C(CO)N)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCC#CC1=CC(=CS1)C(C(CO)N)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H31NO2S.C4H4O4/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-16(15-23-17)19(22)18(20)14-21;5-3(6)1-2-4(7)8/h13,15,18-19,21-22H,2-10,14,20H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+