tetrasodium 2-[(2E)-2-(8-benzamido-6-oxidanidylperoxysulfanyl-1-oxidanylidene-3-sulfonato-naphthalen-2-ylidene)hydrazinyl]naphthalene-1,5-disulfonate

Systemtic Name: tetrasodium 2-[(2E)-2-(8-benzamido-6-oxidanidylperoxysulfanyl-1-oxidanylidene-3-sulfonato-naphthalen-2-ylidene)hydrazinyl]naphthalene-1,5-disulfonate Openeye Name: tetrasodium 2-[(2E)-2-(8-benzamido-6-oxidoperoxysulfanyl-1-oxo-3-sulfonato-2-naphthylidene)hydrazino]naphthalene-1,5-disulfonate CAS Name: tetrasodium 2-[(2E)-2-[8-benzamido-6-(oxidodioxythio)-1-oxo-3-sulfonato-2-naphthalenylidene]hydrazinyl]naphthalene-1,5-disulfonate IUPAC Name: tetrasodium 2-[(2E)-2-(8-benzamido-6-oxidoperoxysulfanyl-1-oxo-3-sulfonatonaphthalen-2-ylidene)hydrazinyl]naphthalene-1,5-disulfonate Traditional Name: tetrasodium 2-[(N'E)-N'-[8-benzamido-1-keto-6-(oxidoperoxythio)-3-sulfonato-2-naphthylidene]hydrazino]naphthalene-1,5-disulfonate Formula: C27H15N3Na4O14S4 MolecularWeight: 825.63878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)SOO[O-])C=C(C(=NNC4=C(C5=C(C=C4)C(=CC=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])C3=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)SOO[O-])C=C(/C(=N/NC4=C(C5=C(C=C4)C(=CC=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])/C3=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C27H19N3O14S4.4Na/c31-25-23-15(11-16(45-44-43-33)13-20(23)28-27(32)14-5-2-1-3-6-14)12-22(47(37,38)39)24(25)30-29-19-10-9-17-18(26(19)48(40,41)42)7-4-8-21(17)46(34,35)36;;;;/h1-13,29,33H,(H,28,32)(H,34,35,36)(H,37,38,39)(H,40,41,42);;;;/q;4*+1/p-4/b30-24-;;;;