disodium (3Z)-6-acetamido-4-oxidanylidene-3-[(4-sulfamoylphenyl)hydrazinylidene]naphthalene-2,7-disulfonate

Systemtic Name: disodium (3Z)-6-acetamido-4-oxidanylidene-3-[(4-sulfamoylphenyl)hydrazinylidene]naphthalene-2,7-disulfonate Openeye Name: disodium (3Z)-6-acetamido-4-oxo-3-[(4-sulfamoylphenyl)hydrazono]naphthalene-2,7-disulfonate CAS Name: disodium (3Z)-6-acetamido-4-oxo-3-[(4-sulfamoylphenyl)hydrazinylidene]naphthalene-2,7-disulfonate IUPAC Name: disodium (3Z)-6-acetamido-4-oxo-3-[(4-sulfamoylphenyl)hydrazinylidene]naphthalene-2,7-disulfonate Traditional Name: disodium (3Z)-6-acetamido-4-keto-3-[(4-sulfamoylphenyl)hydrazono]naphthalene-2,7-disulfonate Formula: C18H14N4Na2O10S3 MolecularWeight: 588.4991

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C2C=C(C(=NNC3=CC=C(C=C3)S(=O)(=O)N)C(=O)C2=C1)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(=O)NC1=C(C=C2C=C(/C(=N\NC3=CC=C(C=C3)S(=O)(=O)N)/C(=O)C2=C1)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C18H16N4O10S3.2Na/c1-9(23)20-14-8-13-10(6-15(14)34(27,28)29)7-16(35(30,31)32)17(18(13)24)22-21-11-2-4-12(5-3-11)33(19,25)26;;/h2-8,21H,1H3,(H,20,23)(H2,19,25,26)(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2/b22-17+;;