disodium 8-phenylazanyl-5-[[4-[(5-sulfonatonaphthalen-1-yl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonate

Systemtic Name: disodium 8-phenylazanyl-5-[[4-[(5-sulfonatonaphthalen-1-yl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonate Openeye Name: disodium 8-anilino-5-[[4-[(5-sulfonato-1-naphthyl)azo]-1-naphthyl]azo]naphthalene-1-sulfonate CAS Name: disodium 8-anilino-5-[[4-[(5-sulfonato-1-naphthalenyl)azo]-1-naphthalenyl]azo]-1-naphthalenesulfonate IUPAC Name: disodium 8-anilino-5-[[4-[(5-sulfonatonaphthalen-1-yl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonate Traditional Name: disodium 8-anilino-5-[[4-[(5-sulfonato-1-naphthyl)azo]-1-naphthyl]azo]naphthalene-1-sulfonate Formula: C36H23N5Na2O6S2 MolecularWeight: 731.70726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C3C(=C(C=C2)N=NC4=CC=C(C5=CC=CC=C54)N=NC6=CC=CC7=C6C=CC=C7S(=O)(=O)[O-])C=CC=C3S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)NC2=C3C(=C(C=C2)N=NC4=CC=C(C5=CC=CC=C54)N=NC6=CC=CC7=C6C=CC=C7S(=O)(=O)[O-])C=CC=C3S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C36H25N5O6S2.2Na/c42-48(43,44)34-17-7-13-26-27(34)14-6-16-29(26)38-39-30-19-20-31(25-12-5-4-11-24(25)30)40-41-32-21-22-33(37-23-9-2-1-3-10-23)36-28(32)15-8-18-35(36)49(45,46)47;;/h1-22,37H,(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2