(phenylmethyl)tin; pyridin-2-ylmethanediol; hexahydrate

Systemtic Name: (phenylmethyl)tin; pyridin-2-ylmethanediol; hexahydrate Openeye Name: benzyltin; 2-pyridylmethanediol; hexahydrate CAS Name: (phenylmethyl)tin; 2-pyridinylmethanediol; hexahydrate IUPAC Name: benzyltin; pyridin-2-ylmethanediol; hexahydrate Traditional Name: benzyltin; 2-pyridylmethanediol; hexahydrate Formula: C78H96N6O18Sn6 MolecularWeight: 2117.88624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[Sn].C1=CC=C(C=C1)C[Sn].C1=CC=C(C=C1)C[Sn].C1=CC=C(C=C1)C[Sn].C1=CC=C(C=C1)C[Sn].C1=CC=C(C=C1)C[Sn].C1=CC=NC(=C1)C(O)O.C1=CC=NC(=C1)C(O)O.C1=CC=NC(=C1)C(O)O.C1=CC=NC(=C1)C(O)O.C1=CC=NC(=C1)C(O)O.C1=CC=NC(=C1)C(O)O.O.O.O.O.O.O

Isomeric SMILES

C1=CC=C(C=C1)C[Sn].C1=CC=C(C=C1)C[Sn].C1=CC=C(C=C1)C[Sn].C1=CC=C(C=C1)C[Sn].C1=CC=C(C=C1)C[Sn].C1=CC=C(C=C1)C[Sn].C1=CC=NC(=C1)C(O)O.C1=CC=NC(=C1)C(O)O.C1=CC=NC(=C1)C(O)O.C1=CC=NC(=C1)C(O)O.C1=CC=NC(=C1)C(O)O.C1=CC=NC(=C1)C(O)O.O.O.O.O.O.O

InChI

InChI=1S/6C7H7.6C6H7NO2.6H2O.6Sn/c6*1-7-5-3-2-4-6-7;6*8-6(9)5-3-1-2-4-7-5;;;;;;;;;;;;/h6*2-6H,1H2;6*1-4,6,8-9H;6*1H2;;;;;;