tetrasodium 3-[[4-[(2Z)-2-(7-azanyl-3-oxidanidylperoxysulfanyl-1-oxidanylidene-naphthalen-2-ylidene)hydrazinyl]naphthalen-1-yl]diazenyl]-5-phosphonato-benzoate

Systemtic Name: tetrasodium 3-[[4-[(2Z)-2-(7-azanyl-3-oxidanidylperoxysulfanyl-1-oxidanylidene-naphthalen-2-ylidene)hydrazinyl]naphthalen-1-yl]diazenyl]-5-phosphonato-benzoate Openeye Name: tetrasodium 3-[[4-[(2Z)-2-(7-amino-3-oxidoperoxysulfanyl-1-oxo-2-naphthylidene)hydrazino]-1-naphthyl]azo]-5-phosphonato-benzoate CAS Name: tetrasodium 3-[[4-[(2Z)-2-[7-amino-3-(oxidodioxythio)-1-oxo-2-naphthalenylidene]hydrazinyl]-1-naphthalenyl]azo]-5-phosphonatobenzoate IUPAC Name: tetrasodium 3-[[4-[(2Z)-2-(7-amino-3-oxidoperoxysulfanyl-1-oxonaphthalen-2-ylidene)hydrazinyl]naphthalen-1-yl]diazenyl]-5-phosphonatobenzoate Traditional Name: tetrasodium 3-[[4-[(N'Z)-N'-[7-amino-1-keto-3-(oxidoperoxythio)-2-naphthylidene]hydrazino]-1-naphthyl]azo]-5-phosphonato-benzoate Formula: C27H16N5Na4O9PS MolecularWeight: 709.441881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2N=NC3=CC(=CC(=C3)C(=O)[O-])P(=O)([O-])[O-])NN=C4C(=CC5=C(C4=O)C=C(C=C5)N)SOO[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2N=NC3=CC(=CC(=C3)C(=O)[O-])P(=O)([O-])[O-])N/N=C/4\C(=CC5=C(C4=O)C=C(C=C5)N)SOO[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C27H20N5O9PS.4Na/c28-16-6-5-14-11-24(43-41-40-36)25(26(33)21(14)12-16)32-31-23-8-7-22(19-3-1-2-4-20(19)23)30-29-17-9-15(27(34)35)10-18(13-17)42(37,38)39;;;;/h1-13,31,36H,28H2,(H,34,35)(H2,37,38,39);;;;/q;4*+1/p-4/b30-29?,32-25+;;;;