disodium (3E)-4-oxidanylidene-3-[[4-[(4-phenylazanyl-3-sulfonato-phenyl)diazenyl]naphthalen-1-yl]hydrazinylidene]naphthalene-1-sulfonate

Systemtic Name: disodium (3E)-4-oxidanylidene-3-[[4-[(4-phenylazanyl-3-sulfonato-phenyl)diazenyl]naphthalen-1-yl]hydrazinylidene]naphthalene-1-sulfonate Openeye Name: disodium (3E)-3-[[4-(4-anilino-3-sulfonato-phenyl)azo-1-naphthyl]hydrazono]-4-oxo-naphthalene-1-sulfonate CAS Name: disodium (3E)-3-[[4-(4-anilino-3-sulfonatophenyl)azo-1-naphthalenyl]hydrazinylidene]-4-oxo-1-naphthalenesulfonate IUPAC Name: disodium (3E)-3-[[4-[(4-anilino-3-sulfonatophenyl)diazenyl]naphthalen-1-yl]hydrazinylidene]-4-oxonaphthalene-1-sulfonate Traditional Name: disodium (3E)-3-[[4-(4-anilino-3-sulfonato-phenyl)azo-1-naphthyl]hydrazono]-4-keto-naphthalene-1-sulfonate Formula: C32H21N5Na2O7S2 MolecularWeight: 697.64798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C=C(C=C2)N=NC3=CC=C(C4=CC=CC=C43)NN=C5C=C(C6=CC=CC=C6C5=O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C=C(C=C2)N=NC3=CC=C(C4=CC=CC=C43)N/N=C/5\C=C(C6=CC=CC=C6C5=O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C32H23N5O7S2.2Na/c38-32-25-13-7-6-12-24(25)30(45(39,40)41)19-29(32)37-36-27-17-16-26(22-10-4-5-11-23(22)27)35-34-21-14-15-28(31(18-21)46(42,43)44)33-20-8-2-1-3-9-20;;/h1-19,33,36H,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2/b35-34?,37-29+;;