indium(3+); 2,3,4,5,6-pentamethylbenzoate

Systemtic Name: indium(3+); 2,3,4,5,6-pentamethylbenzoate Openeye Name: indium(3+); 2,3,4,5,6-pentamethylbenzoate CAS Name: indium(3+); 2,3,4,5,6-pentamethylbenzoate IUPAC Name: indium(3+); 2,3,4,5,6-pentamethylbenzoate Traditional Name: indium(3+); 2,3,4,5,6-pentamethylbenzoate Formula: C36H45InO6 MolecularWeight: 688.5569

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)C(=O)[O-])C)C.CC1=C(C(=C(C(=C1C)C)C(=O)[O-])C)C.CC1=C(C(=C(C(=C1C)C)C(=O)[O-])C)C.[In+3]

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)C(=O)[O-])C)C.CC1=C(C(=C(C(=C1C)C)C(=O)[O-])C)C.CC1=C(C(=C(C(=C1C)C)C(=O)[O-])C)C.[In+3]

InChI

InChI=1S/3C12H16O2.In/c3*1-6-7(2)9(4)11(12(13)14)10(5)8(6)3;/h3*1-5H3,(H,13,14);/q;;;+3/p-3