2-(4-chlorophenyl)-6,8-diisocyanato-octanoic acid

Systemtic Name: 2-(4-chlorophenyl)-6,8-diisocyanato-octanoic acid Openeye Name: 2-(4-chlorophenyl)-6,8-diisocyanato-octanoic acid CAS Name: 2-(4-chlorophenyl)-6,8-diisocyanatooctanoic acid IUPAC Name: 2-(4-chlorophenyl)-6,8-diisocyanatooctanoic acid Traditional Name: 2-(4-chlorophenyl)-6,8-diisocyanato-caprylic acid Formula: C16H17ClN2O4 MolecularWeight: 336.77018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CCCC(CCN=C=O)N=C=O)C(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1C(CCCC(CCN=C=O)N=C=O)C(=O)O)Cl

InChI

InChI=1S/C16H17ClN2O4/c17-13-6-4-12(5-7-13)15(16(22)23)3-1-2-14(19-11-21)8-9-18-10-20/h4-7,14-15H,1-3,8-9H2,(H,22,23)