carbanide; phenylmethanediol; zinc; dihydrate

Systemtic Name: carbanide; phenylmethanediol; zinc; dihydrate Openeye Name: carbanide; phenylmethanediol; zinc; dihydrate CAS Name: carbanide; phenylmethanediol; zinc; dihydrate IUPAC Name: carbanide; phenylmethanediol; zinc; dihydrate Traditional Name: carbanide; phenylmethanediol; zinc; dihydrate Formula: C25H40O8Zn3-4 MolecularWeight: 664.8073

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].[CH3-].[CH3-].[CH3-].C1=CC=C(C=C1)C(O)O.C1=CC=C(C=C1)C(O)O.C1=CC=C(C=C1)C(O)O.O.O.[Zn].[Zn].[Zn]

Isomeric SMILES

[CH3-].[CH3-].[CH3-].[CH3-].C1=CC=C(C=C1)C(O)O.C1=CC=C(C=C1)C(O)O.C1=CC=C(C=C1)C(O)O.O.O.[Zn].[Zn].[Zn]

InChI

InChI=1S/3C7H8O2.4CH3.2H2O.3Zn/c3*8-7(9)6-4-2-1-3-5-6;;;;;;;;;/h3*1-5,7-9H;4*1H3;2*1H2;;;/q;;;4*-1;;;;;