disodium 8-azanyl-5-[(4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate

Systemtic Name: disodium 8-azanyl-5-[(4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate Openeye Name: disodium 8-amino-5-(4-sulfonatophenyl)azo-naphthalene-2-sulfonate CAS Name: disodium 8-amino-5-(4-sulfonatophenyl)azo-2-naphthalenesulfonate IUPAC Name: disodium 8-amino-5-[(4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate Traditional Name: disodium 8-amino-5-(4-sulfonatophenyl)azo-naphthalene-2-sulfonate Formula: C16H11N3Na2O6S2 MolecularWeight: 451.38458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=NC2=C3C=CC(=CC3=C(C=C2)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1N=NC2=C3C=CC(=CC3=C(C=C2)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C16H13N3O6S2.2Na/c17-15-7-8-16(13-6-5-12(9-14(13)15)27(23,24)25)19-18-10-1-3-11(4-2-10)26(20,21)22;;/h1-9H,17H2,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2