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

Systemtic Name: [2,6-bis(2,4,6-trimethylphenyl)phenyl]-chloranyl-gallium dihydrate Openeye Name: [2,6-bis(2,4,6-trimethylphenyl)phenyl]-chloro-gallium dihydrate CAS Name: [2,6-bis(2,4,6-trimethylphenyl)phenyl]-chlorogallium dihydrate IUPAC Name: [2,6-bis(2,4,6-trimethylphenyl)phenyl]-chlorogallium dihydrate Traditional Name: chloro-(2,6-dimesitylphenyl)gallium dihydrate Formula: C48H54Cl2Ga2O2 MolecularWeight: 873.29316

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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]Cl)C.CC1=CC(=C(C(=C1)C)C2=C(C(=CC=C2)C3=C(C=C(C=C3C)C)C)[Ga]Cl)C.O.O

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C(C(=CC=C2)C3=C(C=C(C=C3C)C)C)[Ga]Cl)C.CC1=CC(=C(C(=C1)C)C2=C(C(=CC=C2)C3=C(C=C(C=C3C)C)C)[Ga]Cl)C.O.O

InChI

InChI=1S/2C24H25.2ClH.2Ga.2H2O/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;2*1H;;;2*1H2/q;;;;2*+1;;/p-2