dioctyltin; 3-phenyl-3-tris(4-methylphenyl)germyl-propanoic acid

Systemtic Name: dioctyltin; 3-phenyl-3-tris(4-methylphenyl)germyl-propanoic acid Openeye Name: dioctyltin; 3-phenyl-3-(tris-p-tolylgermyl)propanoic acid CAS Name: dioctyltin; 3-phenyl-3-tris(4-methylphenyl)germylpropanoic acid IUPAC Name: dioctyltin; 3-phenyl-3-tris(4-methylphenyl)germylpropanoic acid Traditional Name: dioctyltin; 3-phenyl-3-(tris-p-tolylgermyl)propionic acid Formula: C76H94Ge2O4Sn MolecularWeight: 1335.54716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[Sn]CCCCCCCC.CC1=CC=C(C=C1)[Ge](C2=CC=C(C=C2)C)(C3=CC=C(C=C3)C)C(CC(=O)O)C4=CC=CC=C4.CC1=CC=C(C=C1)[Ge](C2=CC=C(C=C2)C)(C3=CC=C(C=C3)C)C(CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCC[Sn]CCCCCCCC.CC1=CC=C(C=C1)[Ge](C2=CC=C(C=C2)C)(C3=CC=C(C=C3)C)C(CC(=O)O)C4=CC=CC=C4.CC1=CC=C(C=C1)[Ge](C2=CC=C(C=C2)C)(C3=CC=C(C=C3)C)C(CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/2C30H30GeO2.2C8H17.Sn/c2*1-22-9-15-26(16-10-22)31(27-17-11-23(2)12-18-27,28-19-13-24(3)14-20-28)29(21-30(32)33)25-7-5-4-6-8-25;2*1-3-5-7-8-6-4-2;/h2*4-20,29H,21H2,1-3H3,(H,32,33);2*1,3-8H2,2H3;