disodium (8Z)-7-azanyl-8-[(5-chloranyl-4-methyl-2-sulfonato-phenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonate

Systemtic Name: disodium (8Z)-7-azanyl-8-[(5-chloranyl-4-methyl-2-sulfonato-phenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonate Openeye Name: disodium (8Z)-7-amino-8-[(5-chloro-4-methyl-2-sulfonato-phenyl)hydrazono]-4-oxo-naphthalene-2-sulfonate CAS Name: disodium (8Z)-7-amino-8-[(5-chloro-4-methyl-2-sulfonatophenyl)hydrazinylidene]-4-oxo-2-naphthalenesulfonate IUPAC Name: disodium (8Z)-7-amino-8-[(5-chloro-4-methyl-2-sulfonatophenyl)hydrazinylidene]-4-oxonaphthalene-2-sulfonate Traditional Name: disodium (8Z)-7-amino-8-[(5-chloro-4-methyl-2-sulfonato-phenyl)hydrazono]-4-keto-naphthalene-2-sulfonate Formula: C17H12ClN3Na2O7S2 MolecularWeight: 515.85562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)NN=C2C(=CC=C3C2=CC(=CC3=O)S(=O)(=O)[O-])N)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1Cl)N/N=C/2\C(=CC=C3C2=CC(=CC3=O)S(=O)(=O)[O-])N)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C17H14ClN3O7S2.2Na/c1-8-4-16(30(26,27)28)14(7-12(8)18)20-21-17-11-5-9(29(23,24)25)6-15(22)10(11)2-3-13(17)19;;/h2-7,20H,19H2,1H3,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2/b21-17-;;