[2,6-bis(4-tert-butylphenyl)phenyl]methanediol; iron; oxolane

Systemtic Name: [2,6-bis(4-tert-butylphenyl)phenyl]methanediol; iron; oxolane Openeye Name: [2,6-bis(4-tert-butylphenyl)phenyl]methanediol; iron; tetrahydrofuran CAS Name: [2,6-bis(4-tert-butylphenyl)phenyl]methanediol; iron; oxolane IUPAC Name: [2,6-bis(4-tert-butylphenyl)phenyl]methanediol; iron; oxolane Traditional Name: [2,6-bis(4-tert-butylphenyl)phenyl]methanediol; iron; tetrahydrofuran Formula: C62H80FeO6 MolecularWeight: 977.14

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=CC=C2)C3=CC=C(C=C3)C(C)(C)C)C(O)O.CC(C)(C)C1=CC=C(C=C1)C2=C(C(=CC=C2)C3=CC=C(C=C3)C(C)(C)C)C(O)O.C1CCOC1.C1CCOC1.[Fe]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=CC=C2)C3=CC=C(C=C3)C(C)(C)C)C(O)O.CC(C)(C)C1=CC=C(C=C1)C2=C(C(=CC=C2)C3=CC=C(C=C3)C(C)(C)C)C(O)O.C1CCOC1.C1CCOC1.[Fe]

InChI

InChI=1S/2C27H32O2.2C4H8O.Fe/c2*1-26(2,3)20-14-10-18(11-15-20)22-8-7-9-23(24(22)25(28)29)19-12-16-21(17-13-19)27(4,5)6;2*1-2-4-5-3-1;/h2*7-17,25,28-29H,1-6H3;2*1-4H2;