carbon monoxide; 4,7-dimethyl-1,3-benzodioxole-5,6-diolate; rhenium; triphenylphosphanium

Systemtic Name: carbon monoxide; 4,7-dimethyl-1,3-benzodioxole-5,6-diolate; rhenium; triphenylphosphanium Openeye Name: carbon monoxide; 4,7-dimethyl-1,3-benzodioxole-5,6-diolate; rhenium; triphenylphosphonium CAS Name: carbon monoxide; 4,7-dimethyl-1,3-benzodioxole-5,6-diolate; rhenium; triphenylphosphonium IUPAC Name: carbon monoxide; 4,7-dimethyl-1,3-benzodioxole-5,6-diolate; rhenium; triphenylphosphanium Traditional Name: carbon monoxide; 4,7-dimethyl-1,3-benzodioxole-5,6-diolate; rhenium; triphenylphosphonium Formula: C30H24O7PRe- MolecularWeight: 713.688121

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1OCO2)C)[O-])[O-].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Re]

Isomeric SMILES

CC1=C(C(=C(C2=C1OCO2)C)[O-])[O-].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Re]

InChI

InChI=1S/C18H15P.C9H10O4.3CO.Re/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-6(10)7(11)5(2)9-8(4)12-3-13-9;3*1-2;/h1-15H;10-11H,3H2,1-2H3;;;;/p-1