trisodium 3-azanylidene-4-[2-[2,5-dimethyl-4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinyl]-7-oxidanidylperoxysulfanyl-5-oxidanylidene-naphthalene-2-sulfonate

Systemtic Name: trisodium 3-azanylidene-4-[2-[2,5-dimethyl-4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinyl]-7-oxidanidylperoxysulfanyl-5-oxidanylidene-naphthalene-2-sulfonate Openeye Name: trisodium 4-[2-[2,5-dimethyl-4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazino]-3-imino-7-oxidoperoxysulfanyl-5-oxo-naphthalene-2-sulfonate CAS Name: trisodium 4-[[2,5-dimethyl-4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazo]-3-imino-7-(oxidodioxythio)-5-oxo-2-naphthalenesulfonate IUPAC Name: trisodium 4-[2-[2,5-dimethyl-4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinyl]-3-imino-7-oxidoperoxysulfanyl-5-oxonaphthalene-2-sulfonate Traditional Name: trisodium 4-[N'-[2,5-dimethyl-4-(2-sulfatoethylsulfonyl)phenyl]hydrazino]-3-imino-5-keto-7-(oxidoperoxythio)naphthalene-2-sulfonate Formula: C20H18N3Na3O13S4 MolecularWeight: 705.59853

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)CCOS(=O)(=O)[O-])C)NNC2=C3C(=CC(=CC3=O)SOO[O-])C=C(C2=N)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)CCOS(=O)(=O)[O-])C)NNC2=C3C(=CC(=CC3=O)SOO[O-])C=C(C2=N)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C20H21N3O13S4.3Na/c1-10-6-16(38(26,27)4-3-34-40(31,32)33)11(2)5-14(10)22-23-20-18-12(8-17(19(20)21)39(28,29)30)7-13(9-15(18)24)37-36-35-25;;;/h5-9,21-23,25H,3-4H2,1-2H3,(H,28,29,30)(H,31,32,33);;;/q;3*+1/p-3