disodium 5-azanyl-8-[(4-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonate

Systemtic Name: disodium 5-azanyl-8-[(4-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonate Openeye Name: disodium 5-amino-8-[(4-sulfonato-1-naphthyl)azo]naphthalene-2-sulfonate CAS Name: disodium 5-amino-8-[(4-sulfonato-1-naphthalenyl)azo]-2-naphthalenesulfonate IUPAC Name: disodium 5-amino-8-[(4-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonate Traditional Name: disodium 5-amino-8-[(4-sulfonato-1-naphthyl)azo]naphthalene-2-sulfonate Formula: C20H13N3Na2O6S2 MolecularWeight: 501.44326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])N=NC3=C4C=C(C=CC4=C(C=C3)N)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])N=NC3=C4C=C(C=CC4=C(C=C3)N)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C20H15N3O6S2.2Na/c21-17-7-8-19(16-11-12(30(24,25)26)5-6-13(16)17)23-22-18-9-10-20(31(27,28)29)15-4-2-1-3-14(15)18;;/h1-11H,21H2,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2