disodium 4-azanyl-3-[[4-(2-oxidanidylperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]naphthalene-1-sulfonate

Systemtic Name: disodium 4-azanyl-3-[[4-(2-oxidanidylperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]naphthalene-1-sulfonate Openeye Name: disodium 4-amino-3-[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]azo-naphthalene-1-sulfonate CAS Name: disodium 4-amino-3-[4-[2-(oxidodioxythio)oxyethylsulfonyl]phenyl]azo-1-naphthalenesulfonate IUPAC Name: disodium 4-amino-3-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]naphthalene-1-sulfonate Traditional Name: disodium 4-amino-3-[4-[2-(oxidoperoxythio)oxyethylsulfonyl]phenyl]azo-naphthalene-1-sulfonate Formula: C18H15N3Na2O9S3 MolecularWeight: 559.50094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2N)N=NC3=CC=C(C=C3)S(=O)(=O)CCOSOO[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2N)N=NC3=CC=C(C=C3)S(=O)(=O)CCOSOO[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C18H17N3O9S3.2Na/c19-18-15-4-2-1-3-14(15)17(33(25,26)27)11-16(18)21-20-12-5-7-13(8-6-12)32(23,24)10-9-28-31-30-29-22;;/h1-8,11,22H,9-10,19H2,(H,25,26,27);;/q;2*+1/p-2