3,4-bis(1-isocyanatoethyl)phthalic acid

Systemtic Name: 3,4-bis(1-isocyanatoethyl)phthalic acid Openeye Name: 3,4-bis(1-isocyanatoethyl)phthalic acid CAS Name: 3,4-bis(1-isocyanatoethyl)phthalic acid IUPAC Name: 3,4-bis(1-isocyanatoethyl)phthalic acid Traditional Name: 3,4-bis(1-isocyanatoethyl)phthalic acid Formula: C14H12N2O6 MolecularWeight: 304.25488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C(=C(C=C1)C(=O)O)C(=O)O)C(C)N=C=O)N=C=O

Isomeric SMILES

CC(C1=C(C(=C(C=C1)C(=O)O)C(=O)O)C(C)N=C=O)N=C=O

InChI

InChI=1S/C14H12N2O6/c1-7(15-5-17)9-3-4-10(13(19)20)12(14(21)22)11(9)8(2)16-6-18/h3-4,7-8H,1-2H3,(H,19,20)(H,21,22)