disodium 5-[[2,4-bis(bromanyl)-5-sulfonato-phenyl]diazenyl]-8-phenylazanyl-naphthalene-1-sulfonate

Systemtic Name: disodium 5-[[2,4-bis(bromanyl)-5-sulfonato-phenyl]diazenyl]-8-phenylazanyl-naphthalene-1-sulfonate Openeye Name: disodium 8-anilino-5-(2,4-dibromo-5-sulfonato-phenyl)azo-naphthalene-1-sulfonate CAS Name: disodium 8-anilino-5-(2,4-dibromo-5-sulfonatophenyl)azo-1-naphthalenesulfonate IUPAC Name: disodium 8-anilino-5-[(2,4-dibromo-5-sulfonatophenyl)diazenyl]naphthalene-1-sulfonate Traditional Name: disodium 8-anilino-5-(2,4-dibromo-5-sulfonato-phenyl)azo-naphthalene-1-sulfonate Formula: C22H13Br2N3Na2O6S2 MolecularWeight: 685.27266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C3C(=C(C=C2)N=NC4=CC(=C(C=C4Br)Br)S(=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(C=C4Br)Br)S(=O)(=O)[O-])C=CC=C3S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C22H15Br2N3O6S2.2Na/c23-15-11-16(24)21(35(31,32)33)12-19(15)27-26-17-9-10-18(25-13-5-2-1-3-6-13)22-14(17)7-4-8-20(22)34(28,29)30;;/h1-12,25H,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2