1,2-diisocyanato-3-methyl-benzene; 2-ethylhexyl carbamate

Systemtic Name: 1,2-diisocyanato-3-methyl-benzene; 2-ethylhexyl carbamate Openeye Name: 1,2-diisocyanato-3-methyl-benzene; 2-ethylhexyl carbamate CAS Name: carbamic acid 2-ethylhexyl ester; 1,2-diisocyanato-3-methylbenzene IUPAC Name: 1,2-diisocyanato-3-methylbenzene; 2-ethylhexyl carbamate Traditional Name: carbamic acid 2-ethylhexyl ester; 1,2-diisocyanato-3-methyl-benzene Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)N.CC1=C(C(=CC=C1)N=C=O)N=C=O

Isomeric SMILES

CCCCC(CC)COC(=O)N.CC1=C(C(=CC=C1)N=C=O)N=C=O

InChI

InChI=1S/C9H6N2O2.C9H19NO2/c1-7-3-2-4-8(10-5-12)9(7)11-6-13;1-3-5-6-8(4-2)7-12-9(10)11/h2-4H,1H3;8H,3-7H2,1-2H3,(H2,10,11)