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Reference substances

Reference substances

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IUPAC name:
4-(2-{3-[2-(4-cyanatophenyl)propan-2-yl]phenyl}propan-2-yl)phenyl N-{(E)-[4-(2-{3-[2-(4-cyanatophenyl)propan-2-yl]phenyl}propan-2-yl)phenoxy]methylidene}carbamimidate

Inventory

Synonyms

Molecular and structural information

Molecular formula:
C52H50N4O4
Molecular weight:
795
SMILES notation:
N#COc1ccc(cc1)C(C)(C)c2cccc(c2)C(C)(C)c3ccc(cc3)O/C=N/C(=N)Oc4ccc(cc4)C(C)(C)c5cccc(c5)C(C)(C)c6ccc(OC#N)cc6
InChl:
InChI=1S/C52H50N4O4/c1-49(2,36-15-23-44(24-16-36)57-33-53)40-11-9-13-42(31-40)51(5,6)38-19-27-46(28-20-38)59-35-56-48(55)60-47-29-21-39(22-30-47)52(7,8)43-14-10-12-41(32-43)50(3,4)37-17-25-45(26-18-37)58-34-54/h9-32,35,55H,1-8H3/b55-48?,56-35+
Structural formula:
Chemical structure

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