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6,8-diisocyanato-2-phenyl-octanoic acid

6,8-diisocyanato-2-phenyl-octanoic acid

Systemtic Name:6,8-diisocyanato-2-phenyl-octanoic acid
Openeye Name:6,8-diisocyanato-2-phenyl-octanoic acid
CAS Name:6,8-diisocyanato-2-phenyloctanoic acid
IUPAC Name:6,8-diisocyanato-2-phenyloctanoic acid
Traditional Name:6,8-diisocyanato-2-phenyl-caprylic acid
Formula: C16H18N2O4
MolecularWeight: 302.32512
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C16H18N2O4/c19-11-17-10-9-14(18-12-20)7-4-8-15(16(21)22)13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-10H2,(H,21,22)


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