zinc; 6-(1-hydroxyethyl)cyclohepta-3,5-diene-1,2-dione; octadecanoate

Systemtic Name: zinc; 6-(1-hydroxyethyl)cyclohepta-3,5-diene-1,2-dione; octadecanoate Openeye Name: zinc; 6-(1-hydroxyethyl)cyclohepta-3,5-diene-1,2-dione; octadecanoate CAS Name: zinc; 6-(1-hydroxyethyl)cyclohepta-3,5-diene-1,2-dione; octadecanoate IUPAC Name: zinc; 6-(1-hydroxyethyl)cyclohepta-3,5-diene-1,2-dione; octadecanoate Traditional Name: zinc; 6-(1-hydroxyethyl)cyclohepta-3,5-diene-1,2-quinone; stearate Formula: C45H80O7Zn MolecularWeight: 798.5215

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C18H36O2.C9H10O3.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-6(10)7-3-2-4-8(11)9(12)5-7;/h2*2-17H2,1H3,(H,19,20);2-4,6,10H,5H2,1H3;/q;;;+2/p-2