calcium (6E)-6-(naphthalen-1-ylhydrazinylidene)-5-oxidanylidene-naphthalene-1-sulfonate

Systemtic Name: calcium (6E)-6-(naphthalen-1-ylhydrazinylidene)-5-oxidanylidene-naphthalene-1-sulfonate Openeye Name: calcium (6E)-6-(1-naphthylhydrazono)-5-oxo-naphthalene-1-sulfonate CAS Name: calcium (6E)-6-(1-naphthalenylhydrazinylidene)-5-oxo-1-naphthalenesulfonate IUPAC Name: calcium (6E)-6-(naphthalen-1-ylhydrazinylidene)-5-oxonaphthalene-1-sulfonate Traditional Name: calcium (6E)-5-keto-6-(1-naphthylhydrazono)naphthalene-1-sulfonate Formula: C40H26CaN4O8S2 MolecularWeight: 794.86444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NN=C3C=CC4=C(C3=O)C=CC=C4S(=O)(=O)[O-].C1=CC=C2C(=C1)C=CC=C2NN=C3C=CC4=C(C3=O)C=CC=C4S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

C1=CC=C2C(=CC=CC2=C1)N/N=C\3/C(=O)C4=C(C(=CC=C4)S(=O)(=O)[O-])C=C3.C1=CC=C2C(=CC=CC2=C1)N/N=C\3/C(=O)C4=C(C(=CC=C4)S(=O)(=O)[O-])C=C3.[Ca+2]

InChI

InChI=1S/2C20H14N2O4S.Ca/c2*23-20-16-8-4-10-19(27(24,25)26)15(16)11-12-18(20)22-21-17-9-3-6-13-5-1-2-7-14(13)17;/h2*1-12,21H,(H,24,25,26);/q;;+2/p-2/b2*22-18+;