2-ethylhex-3-ynylbenzene; methyl [(2-methylpropan-2-yl)oxycarbonylamino] carbonate

Systemtic Name: 2-ethylhex-3-ynylbenzene; methyl [(2-methylpropan-2-yl)oxycarbonylamino] carbonate Openeye Name: (tert-butoxycarbonylamino) methyl carbonate; 2-ethylhex-3-ynylbenzene CAS Name: carbonic acid methyl [[(2-methylpropan-2-yl)oxy-oxomethyl]amino] ester; 2-ethylhex-3-ynylbenzene IUPAC Name: 2-ethylhex-3-ynylbenzene; methyl [(2-methylpropan-2-yl)oxycarbonylamino] carbonate Traditional Name: carbonic acid (tert-butoxycarbonylamino) methyl ester; 2-ethylhex-3-ynylbenzene Formula: C21H31NO5 MolecularWeight: 377.47454

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC(CC)CC1=CC=CC=C1.CC(C)(C)OC(=O)NOC(=O)OC

Isomeric SMILES

CCC#CC(CC)CC1=CC=CC=C1.CC(C)(C)OC(=O)NOC(=O)OC

InChI

InChI=1S/C14H18.C7H13NO5/c1-3-5-9-13(4-2)12-14-10-7-6-8-11-14;1-7(2,3)12-5(9)8-13-6(10)11-4/h6-8,10-11,13H,3-4,12H2,1-2H3;1-4H3,(H,8,9)