[2,6-bis(2,4,6-trimethylphenyl)phenyl]methanediol; ethanenitrile; iron

Systemtic Name: [2,6-bis(2,4,6-trimethylphenyl)phenyl]methanediol; ethanenitrile; iron Openeye Name: acetonitrile; [2,6-bis(2,4,6-trimethylphenyl)phenyl]methanediol; iron CAS Name: acetonitrile; [2,6-bis(2,4,6-trimethylphenyl)phenyl]methanediol; iron IUPAC Name: acetonitrile; [2,6-bis(2,4,6-trimethylphenyl)phenyl]methanediol; iron Traditional Name: acetonitrile; (2,6-dimesitylphenyl)methanediol; iron Formula: C104H118Fe2N2O8 MolecularWeight: 1635.74832

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.CC#N.CC1=CC(=C(C(=C1)C)C2=C(C(=CC=C2)C3=C(C=C(C=C3C)C)C)C(O)O)C.CC1=CC(=C(C(=C1)C)C2=C(C(=CC=C2)C3=C(C=C(C=C3C)C)C)C(O)O)C.CC1=CC(=C(C(=C1)C)C2=C(C(=CC=C2)C3=C(C=C(C=C3C)C)C)C(O)O)C.CC1=CC(=C(C(=C1)C)C2=C(C(=CC=C2)C3=C(C=C(C=C3C)C)C)C(O)O)C.[Fe].[Fe]

Isomeric SMILES

CC#N.CC#N.CC1=CC(=C(C(=C1)C)C2=C(C(=CC=C2)C3=C(C=C(C=C3C)C)C)C(O)O)C.CC1=CC(=C(C(=C1)C)C2=C(C(=CC=C2)C3=C(C=C(C=C3C)C)C)C(O)O)C.CC1=CC(=C(C(=C1)C)C2=C(C(=CC=C2)C3=C(C=C(C=C3C)C)C)C(O)O)C.CC1=CC(=C(C(=C1)C)C2=C(C(=CC=C2)C3=C(C=C(C=C3C)C)C)C(O)O)C.[Fe].[Fe]

InChI

InChI=1S/4C25H28O2.2C2H3N.2Fe/c4*1-14-10-16(3)22(17(4)11-14)20-8-7-9-21(24(20)25(26)27)23-18(5)12-15(2)13-19(23)6;2*1-2-3;;/h4*7-13,25-27H,1-6H3;2*1H3;;