1-[2,2-bis[(4-isocyanatophenoxy)methyl]butoxy]-4-isocyanato-benzene

Systemtic Name: 1-[2,2-bis[(4-isocyanatophenoxy)methyl]butoxy]-4-isocyanato-benzene Openeye Name: 1-[2,2-bis[(4-isocyanatophenoxy)methyl]butoxy]-4-isocyanato-benzene CAS Name: 1-[2,2-bis[(4-isocyanatophenoxy)methyl]butoxy]-4-isocyanatobenzene IUPAC Name: 1-[2,2-bis[(4-isocyanatophenoxy)methyl]butoxy]-4-isocyanatobenzene Traditional Name: 1-[2,2-bis[(4-isocyanatophenoxy)methyl]butoxy]-4-isocyanato-benzene Formula: C27H23N3O6 MolecularWeight: 485.48802

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC1=CC=C(C=C1)N=C=O)(COC2=CC=C(C=C2)N=C=O)COC3=CC=C(C=C3)N=C=O

Isomeric SMILES

CCC(COC1=CC=C(C=C1)N=C=O)(COC2=CC=C(C=C2)N=C=O)COC3=CC=C(C=C3)N=C=O

InChI

InChI=1S/C27H23N3O6/c1-2-27(15-34-24-9-3-21(4-10-24)28-18-31,16-35-25-11-5-22(6-12-25)29-19-32)17-36-26-13-7-23(8-14-26)30-20-33/h3-14H,2,15-17H2,1H3