5-isocyanato-2,4-bis(2-methoxyethyl)benzene-1,3-dicarboxylate

Systemtic Name: 5-isocyanato-2,4-bis(2-methoxyethyl)benzene-1,3-dicarboxylate Openeye Name: 5-isocyanato-2,4-bis(2-methoxyethyl)benzene-1,3-dicarboxylate CAS Name: 5-isocyanato-2,4-bis(2-methoxyethyl)benzene-1,3-dicarboxylate IUPAC Name: 5-isocyanato-2,4-bis(2-methoxyethyl)benzene-1,3-dicarboxylate Traditional Name: 5-isocyanato-2,4-bis(2-methoxyethyl)isophthalate Formula: C15H15NO7-2 MolecularWeight: 321.2821

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Descriptors Computed from Structure

Canonical SMILES:

COCCC1=C(C(=C(C=C1C(=O)[O-])N=C=O)CCOC)C(=O)[O-]

Isomeric SMILES

COCCC1=C(C(=C(C=C1C(=O)[O-])N=C=O)CCOC)C(=O)[O-]

InChI

InChI=1S/C15H17NO7/c1-22-5-3-9-11(14(18)19)7-12(16-8-17)10(4-6-23-2)13(9)15(20)21/h7H,3-6H2,1-2H3,(H,18,19)(H,20,21)/p-2