disodium 2-[[(4-chloranyl-2-methyl-phenyl)amino]-[(Z)-ethylideneamino]amino]-5-sulfonato-benzoate

Systemtic Name: disodium 2-[[(4-chloranyl-2-methyl-phenyl)amino]-[(Z)-ethylideneamino]amino]-5-sulfonato-benzoate Openeye Name: disodium 2-[(4-chloro-2-methyl-anilino)-[(Z)-ethylideneamino]amino]-5-sulfonato-benzoate CAS Name: disodium 2-[(4-chloro-2-methylanilino)-[(Z)-ethylideneamino]amino]-5-sulfonatobenzoate IUPAC Name: disodium 2-[(4-chloro-2-methylanilino)-[(Z)-ethylideneamino]amino]-5-sulfonatobenzoate Traditional Name: disodium 2-[(4-chloro-2-methyl-anilino)-[(Z)-ethylideneamino]amino]-5-sulfonato-benzoate Formula: C16H14ClN3Na2O5S MolecularWeight: 441.797

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Descriptors Computed from Structure

Canonical SMILES:

CC=NN(C1=C(C=C(C=C1)S(=O)(=O)[O-])C(=O)[O-])NC2=C(C=C(C=C2)Cl)C.[Na+].[Na+]

Isomeric SMILES

C/C=N\N(C1=C(C=C(C=C1)S(=O)(=O)[O-])C(=O)[O-])NC2=C(C=C(C=C2)Cl)C.[Na+].[Na+]

InChI

InChI=1S/C16H16ClN3O5S.2Na/c1-3-18-20(19-14-6-4-11(17)8-10(14)2)15-7-5-12(26(23,24)25)9-13(15)16(21)22;;/h3-9,19H,1-2H3,(H,21,22)(H,23,24,25);;/q;2*+1/p-2/b18-3-;;