calcium (4E)-3-oxidanylidene-4-(phenylhydrazinylidene)naphthalene-2-carboxylate

Systemtic Name: calcium (4E)-3-oxidanylidene-4-(phenylhydrazinylidene)naphthalene-2-carboxylate Openeye Name: calcium (4E)-3-oxo-4-(phenylhydrazono)naphthalene-2-carboxylate CAS Name: calcium (4E)-3-oxo-4-(phenylhydrazinylidene)-2-naphthalenecarboxylate IUPAC Name: calcium (4E)-3-oxo-4-(phenylhydrazinylidene)naphthalene-2-carboxylate Traditional Name: calcium (4E)-3-keto-4-(phenylhydrazono)-2-naphthoate Formula: C34H22CaN4O6 MolecularWeight: 622.63968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NN=C2C3=CC=CC=C3C=C(C2=O)C(=O)[O-].C1=CC=C(C=C1)NN=C2C3=CC=CC=C3C=C(C2=O)C(=O)[O-].[Ca+2]

Isomeric SMILES

C1=CC=C(C=C1)N/N=C\2/C(=O)C(=CC3=CC=CC=C23)C(=O)[O-].C1=CC=C(C=C1)N/N=C\2/C(=O)C(=CC3=CC=CC=C23)C(=O)[O-].[Ca+2]

InChI

InChI=1S/2C17H12N2O3.Ca/c2*20-16-14(17(21)22)10-11-6-4-5-9-13(11)15(16)19-18-12-7-2-1-3-8-12;/h2*1-10,18H,(H,21,22);/q;;+2/p-2/b2*19-15+;