butyl prop-2-enoate; 2,4-diisocyanato-1-methyl-benzene; 1-oxidanylpropyl 2-methylprop-2-enoate

Systemtic Name: butyl prop-2-enoate; 2,4-diisocyanato-1-methyl-benzene; 1-oxidanylpropyl 2-methylprop-2-enoate Openeye Name: butyl prop-2-enoate; 2,4-diisocyanato-1-methyl-benzene; 1-hydroxypropyl 2-methylprop-2-enoate CAS Name: 2,4-diisocyanato-1-methylbenzene; 2-methyl-2-propenoic acid 1-hydroxypropyl ester; 2-propenoic acid butyl ester IUPAC Name: butyl prop-2-enoate; 2,4-diisocyanato-1-methylbenzene; 1-hydroxypropyl 2-methylprop-2-enoate Traditional Name: acrylic acid butyl ester; 2,4-diisocyanato-1-methyl-benzene; 2-methylacrylic acid 1-hydroxypropyl ester Formula: C23H30N2O7 MolecularWeight: 446.4935

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C=C.CCC(O)OC(=O)C(=C)C.CC1=C(C=C(C=C1)N=C=O)N=C=O

Isomeric SMILES

CCCCOC(=O)C=C.CCC(O)OC(=O)C(=C)C.CC1=C(C=C(C=C1)N=C=O)N=C=O

InChI

InChI=1S/C9H6N2O2.C7H12O3.C7H12O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13;1-4-6(8)10-7(9)5(2)3;1-3-5-6-9-7(8)4-2/h2-4H,1H3;6,8H,2,4H2,1,3H3;4H,2-3,5-6H2,1H3