disodium (3Z)-5-[(5-chloranyl-6-methyl-2-methylsulfonyl-pyrimidin-4-yl)amino]-4-oxidanylidene-3-(phenylhydrazinylidene)naphthalene-2,7-disulfonate

Systemtic Name: disodium (3Z)-5-[(5-chloranyl-6-methyl-2-methylsulfonyl-pyrimidin-4-yl)amino]-4-oxidanylidene-3-(phenylhydrazinylidene)naphthalene-2,7-disulfonate Openeye Name: disodium (3Z)-5-[(5-chloro-6-methyl-2-methylsulfonyl-pyrimidin-4-yl)amino]-4-oxo-3-(phenylhydrazono)naphthalene-2,7-disulfonate CAS Name: disodium (3Z)-5-[(5-chloro-6-methyl-2-methylsulfonyl-4-pyrimidinyl)amino]-4-oxo-3-(phenylhydrazinylidene)naphthalene-2,7-disulfonate IUPAC Name: disodium (3Z)-5-[(5-chloro-6-methyl-2-methylsulfonylpyrimidin-4-yl)amino]-4-oxo-3-(phenylhydrazinylidene)naphthalene-2,7-disulfonate Traditional Name: disodium (3Z)-5-[(5-chloro-2-mesyl-6-methyl-pyrimidin-4-yl)amino]-4-keto-3-(phenylhydrazono)naphthalene-2,7-disulfonate Formula: C22H16ClN5Na2O9S3 MolecularWeight: 672.01808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)S(=O)(=O)C)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C(=NNC4=CC=CC=C4)C3=O)S(=O)(=O)[O-])Cl.[Na+].[Na+]

Isomeric SMILES

CC1=C(C(=NC(=N1)S(=O)(=O)C)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(/C(=N\NC4=CC=CC=C4)/C3=O)S(=O)(=O)[O-])Cl.[Na+].[Na+]

InChI

InChI=1S/C22H18ClN5O9S3.2Na/c1-11-18(23)21(26-22(24-11)38(2,30)31)25-15-10-14(39(32,33)34)8-12-9-16(40(35,36)37)19(20(29)17(12)15)28-27-13-6-4-3-5-7-13;;/h3-10,27H,1-2H3,(H,24,25,26)(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2/b28-19+;;