calcium sodium 2-chloranyl-5-[(2E)-2-(2-oxidanylidenenaphthalen-1-ylidene)hydrazinyl]-4-sulfonato-benzoate

Systemtic Name: calcium sodium 2-chloranyl-5-[(2E)-2-(2-oxidanylidenenaphthalen-1-ylidene)hydrazinyl]-4-sulfonato-benzoate Openeye Name: calcium sodium 2-chloro-5-[(2E)-2-(2-oxo-1-naphthylidene)hydrazino]-4-sulfonato-benzoate CAS Name: calcium sodium 2-chloro-5-[(2E)-2-(2-oxo-1-naphthalenylidene)hydrazinyl]-4-sulfonatobenzoate IUPAC Name: calcium sodium 2-chloro-5-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-4-sulfonatobenzoate Traditional Name: calcium sodium 2-chloro-5-[(N'E)-N'-(2-keto-1-naphthylidene)hydrazino]-4-sulfonato-benzoate Formula: C17H9CaClN2NaO6S+ MolecularWeight: 467.84893

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=O)C2=NNC3=C(C=C(C(=C3)C(=O)[O-])Cl)S(=O)(=O)[O-].[Na+].[Ca+2]

Isomeric SMILES

C1=CC=C\2C(=C1)C=CC(=O)/C2=N/NC3=C(C=C(C(=C3)C(=O)[O-])Cl)S(=O)(=O)[O-].[Na+].[Ca+2]

InChI

InChI=1S/C17H11ClN2O6S.Ca.Na/c18-12-8-15(27(24,25)26)13(7-11(12)17(22)23)19-20-16-10-4-2-1-3-9(10)5-6-14(16)21;;/h1-8,19H,(H,22,23)(H,24,25,26);;/q;+2;+1/p-2/b20-16+;;