4,5-dihydro-1,3-oxazol-2-ylmethanediol; (phenylmethyl)tin; hexahydrate

Systemtic Name: 4,5-dihydro-1,3-oxazol-2-ylmethanediol; (phenylmethyl)tin; hexahydrate Openeye Name: benzyltin; 4,5-dihydrooxazol-2-ylmethanediol; hexahydrate CAS Name: 4,5-dihydrooxazol-2-ylmethanediol; (phenylmethyl)tin; hexahydrate IUPAC Name: benzyltin; 4,5-dihydro-1,3-oxazol-2-ylmethanediol; hexahydrate Traditional Name: benzyltin; 2-oxazolin-2-ylmethanediol; hexahydrate Formula: C66H96N6O24Sn6 MolecularWeight: 2069.75424

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=N1)C(O)O.C1COC(=N1)C(O)O.C1COC(=N1)C(O)O.C1COC(=N1)C(O)O.C1COC(=N1)C(O)O.C1COC(=N1)C(O)O.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].O.O.O.O.O.O

Isomeric SMILES

C1COC(=N1)C(O)O.C1COC(=N1)C(O)O.C1COC(=N1)C(O)O.C1COC(=N1)C(O)O.C1COC(=N1)C(O)O.C1COC(=N1)C(O)O.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].O.O.O.O.O.O

InChI

InChI=1S/6C7H7.6C4H7NO3.6H2O.6Sn/c6*1-7-5-3-2-4-6-7;6*6-4(7)3-5-1-2-8-3;;;;;;;;;;;;/h6*2-6H,1H2;6*4,6-7H,1-2H2;6*1H2;;;;;;