2-azanyl-3-(4-dodec-1-ynylthiophen-2-yl)-3-methoxy-propan-1-ol; (E)-but-2-enedioic acid

Systemtic Name: 2-azanyl-3-(4-dodec-1-ynylthiophen-2-yl)-3-methoxy-propan-1-ol; (E)-but-2-enedioic acid Openeye Name: 2-amino-3-(4-dodec-1-ynyl-2-thienyl)-3-methoxy-propan-1-ol; fumaric acid CAS Name: 2-amino-3-(4-dodec-1-ynyl-2-thiophenyl)-3-methoxy-1-propanol; (E)-2-butenedioic acid IUPAC Name: 2-amino-3-(4-dodec-1-ynylthiophen-2-yl)-3-methoxypropan-1-ol; (E)-but-2-enedioic acid Traditional Name: 2-amino-3-(4-dodec-1-ynyl-2-thienyl)-3-methoxy-propan-1-ol; fumaric acid Formula: C24H37NO6S MolecularWeight: 467.61868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCC#CC1=CSC(=C1)C(C(CO)N)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H33NO2S.C4H4O4/c1-3-4-5-6-7-8-9-10-11-12-13-17-14-19(24-16-17)20(23-2)18(21)15-22;5-3(6)1-2-4(7)8/h14,16,18,20,22H,3-11,15,21H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+