(3E)-7-azanyl-3-[(4-methoxy-2-sulfo-phenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonic acid

Systemtic Name: (3E)-7-azanyl-3-[(4-methoxy-2-sulfo-phenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonic acid Openeye Name: (3E)-7-amino-3-[(4-methoxy-2-sulfo-phenyl)hydrazono]-4-oxo-naphthalene-2-sulfonic acid CAS Name: (3E)-7-amino-3-[(4-methoxy-2-sulfophenyl)hydrazinylidene]-4-oxo-2-naphthalenesulfonic acid IUPAC Name: (3E)-7-amino-3-[(4-methoxy-2-sulfophenyl)hydrazinylidene]-4-oxonaphthalene-2-sulfonic acid Traditional Name: (3E)-7-amino-4-keto-3-[(4-methoxy-2-sulfo-phenyl)hydrazono]naphthalene-2-sulfonic acid Formula: C17H15N3O8S2 MolecularWeight: 453.4463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NN=C2C(=CC3=C(C2=O)C=CC(=C3)N)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)N/N=C\2/C(=CC3=C(C2=O)C=CC(=C3)N)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C17H15N3O8S2/c1-28-11-3-5-13(14(8-11)29(22,23)24)19-20-16-15(30(25,26)27)7-9-6-10(18)2-4-12(9)17(16)21/h2-8,19H,18H2,1H3,(H,22,23,24)(H,25,26,27)/b20-16-