tert-butyl-[1-(5-dodec-1-ynylthiophen-2-yl)-1,3-bis(oxidanyl)propan-2-yl]carbamic acid

Systemtic Name: tert-butyl-[1-(5-dodec-1-ynylthiophen-2-yl)-1,3-bis(oxidanyl)propan-2-yl]carbamic acid Openeye Name: tert-butyl-[2-(5-dodec-1-ynyl-2-thienyl)-2-hydroxy-1-(hydroxymethyl)ethyl]carbamic acid CAS Name: tert-butyl-[1-(5-dodec-1-ynyl-2-thiophenyl)-1,3-dihydroxypropan-2-yl]carbamic acid IUPAC Name: tert-butyl-[1-(5-dodec-1-ynylthiophen-2-yl)-1,3-dihydroxypropan-2-yl]carbamic acid Traditional Name: tert-butyl-[2-(5-dodec-1-ynyl-2-thienyl)-2-hydroxy-1-methylol-ethyl]carbamic acid Formula: C24H39NO4S MolecularWeight: 437.63576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H39NO4S/c1-5-6-7-8-9-10-11-12-13-14-15-19-16-17-21(30-19)22(27)20(18-26)25(23(28)29)24(2,3)4/h16-17,20,22,26-27H,5-13,18H2,1-4H3,(H,28,29)