1-(3-isocyanatopropoxy)-2,4-bis(2-methylbutan-2-yl)benzene

Systemtic Name: 1-(3-isocyanatopropoxy)-2,4-bis(2-methylbutan-2-yl)benzene Openeye Name: 2,4-bis(1,1-dimethylpropyl)-1-(3-isocyanatopropoxy)benzene CAS Name: 1-(3-isocyanatopropoxy)-2,4-bis(2-methylbutan-2-yl)benzene IUPAC Name: 1-(3-isocyanatopropoxy)-2,4-bis(2-methylbutan-2-yl)benzene Traditional Name: 2,4-ditert-amyl-1-(3-isocyanatopropoxy)benzene Formula: C20H31NO2 MolecularWeight: 317.46564

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCN=C=O)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCN=C=O)C(C)(C)CC

InChI

InChI=1S/C20H31NO2/c1-7-19(3,4)16-10-11-18(23-13-9-12-21-15-22)17(14-16)20(5,6)8-2/h10-11,14H,7-9,12-13H2,1-6H3