dipotassium 2-[[(5-chloranyl-2-methyl-phenyl)amino]-(ethylamino)amino]-5-sulfonato-benzoate

Systemtic Name: dipotassium 2-[[(5-chloranyl-2-methyl-phenyl)amino]-(ethylamino)amino]-5-sulfonato-benzoate Openeye Name: dipotassium 2-[(5-chloro-2-methyl-anilino)-(ethylamino)amino]-5-sulfonato-benzoate CAS Name: dipotassium 2-[(5-chloro-2-methylanilino)-(ethylamino)amino]-5-sulfonatobenzoate IUPAC Name: dipotassium 2-[(5-chloro-2-methylanilino)-(ethylamino)amino]-5-sulfonatobenzoate Traditional Name: dipotassium 2-[(5-chloro-2-methyl-anilino)-(ethylamino)amino]-5-sulfonato-benzoate Formula: C16H16ClK2N3O5S MolecularWeight: 476.02994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN3O5S.2K/c1-3-18-20(19-14-8-11(17)5-4-10(14)2)15-7-6-12(26(23,24)25)9-13(15)16(21)22;;/h4-9,18-19H,3H2,1-2H3,(H,21,22)(H,23,24,25);;/q;2*+1/p-2