disodium (3E)-3-[(4-acetamidophenyl)hydrazinylidene]-5-[(4-methylphenyl)sulfonylamino]-4-oxidanylidene-naphthalene-2,7-disulfonate

Systemtic Name: disodium (3E)-3-[(4-acetamidophenyl)hydrazinylidene]-5-[(4-methylphenyl)sulfonylamino]-4-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: disodium (3E)-3-[(4-acetamidophenyl)hydrazono]-4-oxo-5-(p-tolylsulfonylamino)naphthalene-2,7-disulfonate CAS Name: disodium (3E)-3-[(4-acetamidophenyl)hydrazinylidene]-5-[(4-methylphenyl)sulfonylamino]-4-oxonaphthalene-2,7-disulfonate IUPAC Name: disodium (3E)-3-[(4-acetamidophenyl)hydrazinylidene]-5-[(4-methylphenyl)sulfonylamino]-4-oxonaphthalene-2,7-disulfonate Traditional Name: disodium (3E)-3-[(4-acetamidophenyl)hydrazono]-4-keto-5-(tosylamino)naphthalene-2,7-disulfonate Formula: C25H20N4Na2O10S3 MolecularWeight: 678.62164

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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=CC=C(C=C4)NC(=O)C)C3=O)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(/C(=N/NC4=CC=C(C=C4)NC(=O)C)/C3=O)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C25H22N4O10S3.2Na/c1-14-3-9-19(10-4-14)40(32,33)29-21-13-20(41(34,35)36)11-16-12-22(42(37,38)39)24(25(31)23(16)21)28-27-18-7-5-17(6-8-18)26-15(2)30;;/h3-13,27,29H,1-2H3,(H,26,30)(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2/b28-24-;;