disodium (6E)-6-[(5-chloranyl-2-phenoxy-phenyl)hydrazinylidene]-4-[(4-methylphenyl)methyl]-7-oxidanidylperoxysulfanyl-5-oxidanylidene-naphthalene-2-sulfonate

Systemtic Name: disodium (6E)-6-[(5-chloranyl-2-phenoxy-phenyl)hydrazinylidene]-4-[(4-methylphenyl)methyl]-7-oxidanidylperoxysulfanyl-5-oxidanylidene-naphthalene-2-sulfonate Openeye Name: disodium (6E)-6-[(5-chloro-2-phenoxy-phenyl)hydrazono]-7-oxidoperoxysulfanyl-5-oxo-4-(p-tolylmethyl)naphthalene-2-sulfonate CAS Name: disodium (6E)-6-[(5-chloro-2-phenoxyphenyl)hydrazinylidene]-4-[(4-methylphenyl)methyl]-7-(oxidodioxythio)-5-oxo-2-naphthalenesulfonate IUPAC Name: disodium (6E)-6-[(5-chloro-2-phenoxyphenyl)hydrazinylidene]-4-[(4-methylphenyl)methyl]-7-oxidoperoxysulfanyl-5-oxonaphthalene-2-sulfonate Traditional Name: disodium (6E)-6-[(5-chloro-2-phenoxy-phenyl)hydrazono]-5-keto-4-(4-methylbenzyl)-7-(oxidoperoxythio)naphthalene-2-sulfonate Formula: C30H21ClN2Na2O8S2 MolecularWeight: 683.05888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C(=NNC4=C(C=CC(=C4)Cl)OC5=CC=CC=C5)C3=O)SOO[O-].[Na+].[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(/C(=N/NC4=C(C=CC(=C4)Cl)OC5=CC=CC=C5)/C3=O)SOO[O-].[Na+].[Na+]

InChI

InChI=1S/C30H23ClN2O8S2.2Na/c1-18-7-9-19(10-8-18)13-20-14-24(43(36,37)38)15-21-16-27(42-41-40-35)29(30(34)28(20)21)33-32-25-17-22(31)11-12-26(25)39-23-5-3-2-4-6-23;;/h2-12,14-17,32,35H,13H2,1H3,(H,36,37,38);;/q;2*+1/p-2/b33-29-;;