disodium 2-[[(5-chloranyl-2-methoxy-phenyl)amino]-(ethenylamino)amino]-5-sulfonato-benzoate

Systemtic Name: disodium 2-[[(5-chloranyl-2-methoxy-phenyl)amino]-(ethenylamino)amino]-5-sulfonato-benzoate Openeye Name: disodium 2-[(5-chloro-2-methoxy-anilino)-(vinylamino)amino]-5-sulfonato-benzoate CAS Name: disodium 2-[(5-chloro-2-methoxyanilino)-(ethenylamino)amino]-5-sulfonatobenzoate IUPAC Name: disodium 2-[(5-chloro-2-methoxyanilino)-(ethenylamino)amino]-5-sulfonatobenzoate Traditional Name: disodium 2-[(5-chloro-2-methoxy-anilino)-(vinylamino)amino]-5-sulfonato-benzoate Formula: C16H14ClN3Na2O6S MolecularWeight: 457.7964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NN(C2=C(C=C(C=C2)S(=O)(=O)[O-])C(=O)[O-])NC=C.[Na+].[Na+]

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NN(C2=C(C=C(C=C2)S(=O)(=O)[O-])C(=O)[O-])NC=C.[Na+].[Na+]

InChI

InChI=1S/C16H16ClN3O6S.2Na/c1-3-18-20(19-13-8-10(17)4-7-15(13)26-2)14-6-5-11(27(23,24)25)9-12(14)16(21)22;;/h3-9,18-19H,1H2,2H3,(H,21,22)(H,23,24,25);;/q;2*+1/p-2