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Reference substances

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IUPAC name:
4-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}phenyl N-{(Z)-[4-(2-{3-[2-(4-cyanatophenyl)propan-2-yl]phenyl}propan-2-yl)phenoxy]methylidene}carbamimidate

Inventory

Synonyms

Molecular and structural information

Molecular formula:
C45H45N3O3
Molecular weight:
675.9
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
InChl:
InChI=1S/C45H45N3O3/c1-31(2)32-11-9-12-36(27-32)43(3,4)35-19-25-41(26-20-35)51-42(47)48-30-50-40-23-17-34(18-24-40)45(7,8)38-14-10-13-37(28-38)44(5,6)33-15-21-39(22-16-33)49-29-46/h9-28,30,47H,1H2,2-8H3/b47-42?,48-30-
Structural formula:
Chemical structure

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