1,3-bis(4-isocyanatobutyl)benzene

Systemtic Name: 1,3-bis(4-isocyanatobutyl)benzene Openeye Name: 1,3-bis(4-isocyanatobutyl)benzene CAS Name: 1,3-bis(4-isocyanatobutyl)benzene IUPAC Name: 1,3-bis(4-isocyanatobutyl)benzene Traditional Name: 1,3-bis(4-isocyanatobutyl)benzene Formula: C16H20N2O2 MolecularWeight: 272.3422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CCCCN=C=O)CCCCN=C=O

Isomeric SMILES

C1=CC(=CC(=C1)CCCCN=C=O)CCCCN=C=O

InChI

InChI=1S/C16H20N2O2/c19-13-17-10-3-1-6-15-8-5-9-16(12-15)7-2-4-11-18-14-20/h5,8-9,12H,1-4,6-7,10-11H2