disodium 2-[4-[(2E)-2-(7-acetamido-3-oxidanidylperoxysulfanyl-1-oxidanylidene-naphthalen-2-ylidene)hydrazinyl]phenyl]sulfonylethyl sulfate

Systemtic Name: disodium 2-[4-[(2E)-2-(7-acetamido-3-oxidanidylperoxysulfanyl-1-oxidanylidene-naphthalen-2-ylidene)hydrazinyl]phenyl]sulfonylethyl sulfate Openeye Name: disodium 2-[4-[(2E)-2-(7-acetamido-3-oxidoperoxysulfanyl-1-oxo-2-naphthylidene)hydrazino]phenyl]sulfonylethyl sulfate CAS Name: disodium 2-[4-[(2E)-2-[7-acetamido-3-(oxidodioxythio)-1-oxo-2-naphthalenylidene]hydrazinyl]phenyl]sulfonylethyl sulfate IUPAC Name: disodium 2-[4-[(2E)-2-(7-acetamido-3-oxidoperoxysulfanyl-1-oxonaphthalen-2-ylidene)hydrazinyl]phenyl]sulfonylethyl sulfate Traditional Name: disodium 2-[4-[(N'E)-N'-[7-acetamido-1-keto-3-(oxidoperoxythio)-2-naphthylidene]hydrazino]phenyl]sulfonylethyl sulfate Formula: C20H17N3Na2O11S3 MolecularWeight: 617.53702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C=C(C(=NNC3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)[O-])C2=O)SOO[O-].[Na+].[Na+]

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C=C(/C(=N/NC3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)[O-])/C2=O)SOO[O-].[Na+].[Na+]

InChI

InChI=1S/C20H19N3O11S3.2Na/c1-12(24)21-15-3-2-13-10-18(35-34-33-26)19(20(25)17(13)11-15)23-22-14-4-6-16(7-5-14)36(27,28)9-8-32-37(29,30)31;;/h2-7,10-11,22,26H,8-9H2,1H3,(H,21,24)(H,29,30,31);;/q;2*+1/p-2/b23-19-;;