disodium 4-[(2Z)-2-(6-acetamido-3-oxidanidylperoxysulfanyl-1-oxidanylidene-naphthalen-2-ylidene)hydrazinyl]-N-[3-(2-oxidanidylperoxysulfanyloxyethylsulfonyl)phenyl]benzamide

Systemtic Name: disodium 4-[(2Z)-2-(6-acetamido-3-oxidanidylperoxysulfanyl-1-oxidanylidene-naphthalen-2-ylidene)hydrazinyl]-N-[3-(2-oxidanidylperoxysulfanyloxyethylsulfonyl)phenyl]benzamide Openeye Name: disodium 4-[(2Z)-2-(6-acetamido-3-oxidoperoxysulfanyl-1-oxo-2-naphthylidene)hydrazino]-N-[3-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]benzamide CAS Name: disodium (3Z)-7-acetamido-3-[[4-[[3-[2-(oxidodioxythio)oxyethylsulfonyl]anilino]-oxomethyl]phenyl]hydrazinylidene]-4-oxo-2-naphthalenesulfenic acid oxidooxy ester IUPAC Name: disodium 4-[(2Z)-2-(6-acetamido-3-oxidoperoxysulfanyl-1-oxonaphthalen-2-ylidene)hydrazinyl]-N-[3-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]benzamide Traditional Name: disodium 4-[(N'Z)-N'-[6-acetamido-1-keto-3-(oxidoperoxythio)-2-naphthylidene]hydrazino]-N-[3-[2-(oxidoperoxythio)oxyethylsulfonyl]phenyl]benzamide Formula: C27H22N4Na2O12S3 MolecularWeight: 736.65772

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=O)C(=NNC3=CC=C(C=C3)C(=O)NC4=CC(=CC=C4)S(=O)(=O)CCOSOO[O-])C(=C2)SOO[O-].[Na+].[Na+]

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=O)/C(=N/NC3=CC=C(C=C3)C(=O)NC4=CC(=CC=C4)S(=O)(=O)CCOSOO[O-])/C(=C2)SOO[O-].[Na+].[Na+]

InChI

InChI=1S/C27H24N4O12S3.2Na/c1-16(32)28-21-9-10-23-18(13-21)14-24(44-42-40-35)25(26(23)33)31-30-19-7-5-17(6-8-19)27(34)29-20-3-2-4-22(15-20)46(37,38)12-11-39-45-43-41-36;;/h2-10,13-15,30,35-36H,11-12H2,1H3,(H,28,32)(H,29,34);;/q;2*+1/p-2/b31-25+;;