1-isocyanato-4-[4-[3-[4-(4-isocyanatophenoxy)phenyl]penta-1,4-diyn-3-yl]phenoxy]benzene

Systemtic Name: 1-isocyanato-4-[4-[3-[4-(4-isocyanatophenoxy)phenyl]penta-1,4-diyn-3-yl]phenoxy]benzene Openeye Name: 1-[1-ethynyl-1-[4-(4-isocyanatophenoxy)phenyl]prop-2-ynyl]-4-(4-isocyanatophenoxy)benzene CAS Name: 1-isocyanato-4-[4-[3-[4-(4-isocyanatophenoxy)phenyl]penta-1,4-diyn-3-yl]phenoxy]benzene IUPAC Name: 1-isocyanato-4-[4-[3-[4-(4-isocyanatophenoxy)phenyl]penta-1,4-diyn-3-yl]phenoxy]benzene Traditional Name: 1-[1-ethynyl-1-[4-(4-isocyanatophenoxy)phenyl]prop-2-ynyl]-4-(4-isocyanatophenoxy)benzene Formula: C31H18N2O4 MolecularWeight: 482.48562

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(C#C)(C1=CC=C(C=C1)OC2=CC=C(C=C2)N=C=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)N=C=O

Isomeric SMILES

C#CC(C#C)(C1=CC=C(C=C1)OC2=CC=C(C=C2)N=C=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)N=C=O

InChI

InChI=1S/C31H18N2O4/c1-3-31(4-2,23-5-13-27(14-6-23)36-29-17-9-25(10-18-29)32-21-34)24-7-15-28(16-8-24)37-30-19-11-26(12-20-30)33-22-35/h1-2,5-20H