(3E)-5-acetamido-3-[(3-azanyl-4-sulfo-phenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonic acid

Systemtic Name: (3E)-5-acetamido-3-[(3-azanyl-4-sulfo-phenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonic acid Openeye Name: (3E)-5-acetamido-3-[(3-amino-4-sulfo-phenyl)hydrazono]-4-oxo-naphthalene-2,7-disulfonic acid CAS Name: (3E)-5-acetamido-3-[(3-amino-4-sulfophenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid IUPAC Name: (3E)-5-acetamido-3-[(3-amino-4-sulfophenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid Traditional Name: (3E)-5-acetamido-3-[(3-amino-4-sulfo-phenyl)hydrazono]-4-keto-naphthalene-2,7-disulfonic acid Formula: C18H16N4O11S3 MolecularWeight: 560.53484

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C(=NNC3=CC(=C(C=C3)S(=O)(=O)O)N)C2=O)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(/C(=N/NC3=CC(=C(C=C3)S(=O)(=O)O)N)/C2=O)S(=O)(=O)O

InChI

InChI=1S/C18H16N4O11S3/c1-8(23)20-13-7-11(34(25,26)27)4-9-5-15(36(31,32)33)17(18(24)16(9)13)22-21-10-2-3-14(12(19)6-10)35(28,29)30/h2-7,21H,19H2,1H3,(H,20,23)(H,25,26,27)(H,28,29,30)(H,31,32,33)/b22-17-