zinc; 4-methylbenzoic acid; (Z)-4-oxidanylidenepent-2-en-2-olate; zinc

Systemtic Name: zinc; 4-methylbenzoic acid; (Z)-4-oxidanylidenepent-2-en-2-olate; zinc Openeye Name: zinc; 4-methylbenzoic acid; (Z)-4-oxopent-2-en-2-olate; zinc CAS Name: zinc; 4-methylbenzoic acid; (Z)-4-oxo-2-penten-2-olate; zinc IUPAC Name: zinc; 4-methylbenzoic acid; (Z)-4-oxopent-2-en-2-olate; zinc Traditional Name: zinc; (Z)-4-ketopent-2-en-2-olate; p-toluic acid; zinc Formula: C23H29O8Zn2- MolecularWeight: 564.28956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)O.CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].[Zn].[Zn+2]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)O.C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[Zn].[Zn+2]

InChI

InChI=1S/C8H8O2.3C5H8O2.2Zn/c1-6-2-4-7(5-3-6)8(9)10;3*1-4(6)3-5(2)7;;/h2-5H,1H3,(H,9,10);3*3,6H,1-2H3;;/q;;;;;+2/p-3/b;3*4-3-;;