calcium 4-ethyl-5-methanoyl-3-methoxy-2-oxidanyl-benzoate

Systemtic Name: calcium 4-ethyl-5-methanoyl-3-methoxy-2-oxidanyl-benzoate Openeye Name: calcium 4-ethyl-5-formyl-2-hydroxy-3-methoxy-benzoate CAS Name: calcium 4-ethyl-5-formyl-2-hydroxy-3-methoxybenzoate IUPAC Name: calcium 4-ethyl-5-formyl-2-hydroxy-3-methoxybenzoate Traditional Name: calcium 4-ethyl-5-formyl-2-hydroxy-3-methoxy-benzoate Formula: C22H22CaO10 MolecularWeight: 486.48208

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1C=O)C(=O)[O-])O)OC.CCC1=C(C(=C(C=C1C=O)C(=O)[O-])O)OC.[Ca+2]

Isomeric SMILES

CCC1=C(C(=C(C=C1C=O)C(=O)[O-])O)OC.CCC1=C(C(=C(C=C1C=O)C(=O)[O-])O)OC.[Ca+2]

InChI

InChI=1S/2C11H12O5.Ca/c2*1-3-7-6(5-12)4-8(11(14)15)9(13)10(7)16-2;/h2*4-5,13H,3H2,1-2H3,(H,14,15);/q;;+2/p-2