trisodium (3Z)-5-acetamido-3-[(4-ethoxy-3-sulfonato-phenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate

Systemtic Name: trisodium (3Z)-5-acetamido-3-[(4-ethoxy-3-sulfonato-phenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: trisodium (3Z)-5-acetamido-3-[(4-ethoxy-3-sulfonato-phenyl)hydrazono]-4-oxo-naphthalene-2,7-disulfonate CAS Name: trisodium (3Z)-5-acetamido-3-[(4-ethoxy-3-sulfonatophenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate IUPAC Name: trisodium (3Z)-5-acetamido-3-[(4-ethoxy-3-sulfonatophenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate Traditional Name: trisodium (3Z)-5-acetamido-3-[(4-ethoxy-3-sulfonato-phenyl)hydrazono]-4-keto-naphthalene-2,7-disulfonate Formula: C20H16N3Na3O12S3 MolecularWeight: 655.51825

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NN=C2C(=CC3=CC(=CC(=C3C2=O)NC(=O)C)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CCOC1=C(C=C(C=C1)N/N=C/2\C(=CC3=CC(=CC(=C3C2=O)NC(=O)C)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C20H19N3O12S3.3Na/c1-3-35-15-5-4-12(8-16(15)37(29,30)31)22-23-19-17(38(32,33)34)7-11-6-13(36(26,27)28)9-14(21-10(2)24)18(11)20(19)25;;;/h4-9,22H,3H2,1-2H3,(H,21,24)(H,26,27,28)(H,29,30,31)(H,32,33,34);;;/q;3*+1/p-3/b23-19+;;;