hexyl (E)-3-isocyanato-2-methyl-pent-2-enoate; hexyl 2-methylprop-2-enoate; octyl 2-isocyanatoprop-2-enoate

Systemtic Name: hexyl (E)-3-isocyanato-2-methyl-pent-2-enoate; hexyl 2-methylprop-2-enoate; octyl 2-isocyanatoprop-2-enoate Openeye Name: hexyl (E)-3-isocyanato-2-methyl-pent-2-enoate; hexyl 2-methylprop-2-enoate; octyl 2-isocyanatoprop-2-enoate CAS Name: (E)-3-isocyanato-2-methyl-2-pentenoic acid hexyl ester; 2-isocyanato-2-propenoic acid octyl ester; 2-methyl-2-propenoic acid hexyl ester IUPAC Name: hexyl (E)-3-isocyanato-2-methylpent-2-enoate; hexyl 2-methylprop-2-enoate; octyl 2-isocyanatoprop-2-enoate Traditional Name: 2-isocyanatoacrylic acid octyl ester; (E)-3-isocyanato-2-methyl-pent-2-enoic acid hexyl ester; 2-methylacrylic acid hexyl ester Formula: C35H58N2O8 MolecularWeight: 634.84362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C(=C)N=C=O.CCCCCCOC(=O)C(=C)C.CCCCCCOC(=O)C(=C(CC)N=C=O)C

Isomeric SMILES

CCCCCCCCOC(=O)C(=C)N=C=O.CCCCCCOC(=O)C(=C)C.CCCCCCOC(=O)/C(=C(\CC)/N=C=O)/C

InChI

InChI=1S/C13H21NO3.C12H19NO3.C10H18O2/c1-4-6-7-8-9-17-13(16)11(3)12(5-2)14-10-15;1-3-4-5-6-7-8-9-16-12(15)11(2)13-10-14;1-4-5-6-7-8-12-10(11)9(2)3/h4-9H2,1-3H3;2-9H2,1H3;2,4-8H2,1,3H3/b12-11+;;