bis[2,6-bis(2,4,6-trimethylphenyl)phenyl]gallium hydrate

Systemtic Name: bis[2,6-bis(2,4,6-trimethylphenyl)phenyl]gallium hydrate Openeye Name: bis[2,6-bis(2,4,6-trimethylphenyl)phenyl]gallium hydrate CAS Name: bis[2,6-bis(2,4,6-trimethylphenyl)phenyl]gallium hydrate IUPAC Name: bis[2,6-bis(2,4,6-trimethylphenyl)phenyl]gallium hydrate Traditional Name: bis(2,6-dimesitylphenyl)gallium hydrate Formula: C48H52GaO MolecularWeight: 714.64888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C(C(=CC=C2)C3=C(C=C(C=C3C)C)C)[Ga]C4=C(C=CC=C4C5=C(C=C(C=C5C)C)C)C6=C(C=C(C=C6C)C)C)C.O

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C(C(=CC=C2)C3=C(C=C(C=C3C)C)C)[Ga]C4=C(C=CC=C4C5=C(C=C(C=C5C)C)C)C6=C(C=C(C=C6C)C)C)C.O

InChI

InChI=1S/2C24H25.Ga.H2O/c2*1-15-10-17(3)23(18(4)11-15)21-8-7-9-22(14-21)24-19(5)12-16(2)13-20(24)6;;/h2*7-13H,1-6H3;;1H2