2-[2-isocyanato-5-[(4-isocyanatophenyl)methyl]phenyl]ethanoic acid

Systemtic Name: 2-[2-isocyanato-5-[(4-isocyanatophenyl)methyl]phenyl]ethanoic acid Openeye Name: 2-[2-isocyanato-5-[(4-isocyanatophenyl)methyl]phenyl]acetic acid CAS Name: 2-[2-isocyanato-5-[(4-isocyanatophenyl)methyl]phenyl]acetic acid IUPAC Name: 2-[2-isocyanato-5-[(4-isocyanatophenyl)methyl]phenyl]acetic acid Traditional Name: 2-[2-isocyanato-5-(4-isocyanatobenzyl)phenyl]acetic acid Formula: C17H12N2O4 MolecularWeight: 308.28818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC(=C(C=C2)N=C=O)CC(=O)O)N=C=O

Isomeric SMILES

C1=CC(=CC=C1CC2=CC(=C(C=C2)N=C=O)CC(=O)O)N=C=O

InChI

InChI=1S/C17H12N2O4/c20-10-18-15-4-1-12(2-5-15)7-13-3-6-16(19-11-21)14(8-13)9-17(22)23/h1-6,8H,7,9H2,(H,22,23)