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

Systemtic Name: calcium disodium 2-chloranyl-5-[(2E)-2-(2-oxidanylidenenaphthalen-1-ylidene)hydrazinyl]-4-sulfonato-benzoate Openeye Name: calcium disodium 2-chloro-5-[(2E)-2-(2-oxo-1-naphthylidene)hydrazino]-4-sulfonato-benzoate CAS Name: calcium disodium 2-chloro-5-[(2E)-2-(2-oxo-1-naphthalenylidene)hydrazinyl]-4-sulfonatobenzoate IUPAC Name: calcium disodium 2-chloro-5-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-4-sulfonatobenzoate Traditional Name: calcium disodium 2-chloro-5-[(N'E)-N'-(2-keto-1-naphthylidene)hydrazino]-4-sulfonato-benzoate Formula: C34H18CaCl2N4Na2O12S2 MolecularWeight: 895.61986

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

Isomeric SMILES

C1=CC=C2/C(=N\NC3=C(C=C(C(=C3)C(=O)[O-])Cl)S(=O)(=O)[O-])/C(=O)C=CC2=C1.C1=CC=C2/C(=N\NC3=C(C=C(C(=C3)C(=O)[O-])Cl)S(=O)(=O)[O-])/C(=O)C=CC2=C1.[Na+].[Na+].[Ca+2]

InChI

InChI=1S/2C17H11ClN2O6S.Ca.2Na/c2*18-12-8-15(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;;;/h2*1-8,19H,(H,22,23)(H,24,25,26);;;/q;;+2;2*+1/p-4/b2*20-16+;;;