potassium (6E)-4-acetamido-6-[(4-ethenylsulfonyl-2-oxidanyl-phenyl)hydrazinylidene]-5-oxidanylidene-7-sulfo-naphthalene-2-sulfonate

Systemtic Name: potassium (6E)-4-acetamido-6-[(4-ethenylsulfonyl-2-oxidanyl-phenyl)hydrazinylidene]-5-oxidanylidene-7-sulfo-naphthalene-2-sulfonate Openeye Name: potassium (6E)-4-acetamido-6-[(2-hydroxy-4-vinylsulfonyl-phenyl)hydrazono]-5-oxo-7-sulfo-naphthalene-2-sulfonate CAS Name: potassium (6E)-4-acetamido-6-[(4-ethenylsulfonyl-2-hydroxyphenyl)hydrazinylidene]-5-oxo-7-sulfo-2-naphthalenesulfonate IUPAC Name: potassium (6E)-4-acetamido-6-[(4-ethenylsulfonyl-2-hydroxyphenyl)hydrazinylidene]-5-oxo-7-sulfonaphthalene-2-sulfonate Traditional Name: potassium (6E)-4-acetamido-6-[(2-hydroxy-4-vinylsulfonyl-phenyl)hydrazono]-5-keto-7-sulfo-naphthalene-2-sulfonate Formula: C20H16KN3O11S3 MolecularWeight: 609.64784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O11S3.K/c1-3-35(27,28)12-4-5-14(16(25)9-12)22-23-19-17(37(32,33)34)7-11-6-13(36(29,30)31)8-15(21-10(2)24)18(11)20(19)26;/h3-9,22,25H,1H2,2H3,(H,21,24)(H,29,30,31)(H,32,33,34);/q;+1/p-1/b23-19-;