(3Z)-3-[(5-chloranyl-2-phenoxy-phenyl)hydrazinylidene]-5-[(4-methylphenyl)sulfonylamino]-4-oxidanylidene-naphthalene-2,7-disulfonic acid

Systemtic Name: (3Z)-3-[(5-chloranyl-2-phenoxy-phenyl)hydrazinylidene]-5-[(4-methylphenyl)sulfonylamino]-4-oxidanylidene-naphthalene-2,7-disulfonic acid Openeye Name: (3Z)-3-[(5-chloro-2-phenoxy-phenyl)hydrazono]-4-oxo-5-(p-tolylsulfonylamino)naphthalene-2,7-disulfonic acid CAS Name: (3Z)-3-[(5-chloro-2-phenoxyphenyl)hydrazinylidene]-5-[(4-methylphenyl)sulfonylamino]-4-oxonaphthalene-2,7-disulfonic acid IUPAC Name: (3Z)-3-[(5-chloro-2-phenoxyphenyl)hydrazinylidene]-5-[(4-methylphenyl)sulfonylamino]-4-oxonaphthalene-2,7-disulfonic acid Traditional Name: (3Z)-3-[(5-chloro-2-phenoxy-phenyl)hydrazono]-4-keto-5-(tosylamino)naphthalene-2,7-disulfonic acid Formula: C29H22ClN3O10S3 MolecularWeight: 704.14708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C(=NNC4=C(C=CC(=C4)Cl)OC5=CC=CC=C5)C3=O)S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(/C(=N\NC4=C(C=CC(=C4)Cl)OC5=CC=CC=C5)/C3=O)S(=O)(=O)O

InChI

InChI=1S/C29H22ClN3O10S3/c1-17-7-10-21(11-8-17)44(35,36)33-24-16-22(45(37,38)39)13-18-14-26(46(40,41)42)28(29(34)27(18)24)32-31-23-15-19(30)9-12-25(23)43-20-5-3-2-4-6-20/h2-16,31,33H,1H3,(H,37,38,39)(H,40,41,42)/b32-28+