trisodium 8-[[4-(methoxymethyl)-3-nitro-phenyl]carbonylamino]-3-oxidanidylperoxysulfanyl-naphthalene-1,5-disulfonate

Systemtic Name: trisodium 8-[[4-(methoxymethyl)-3-nitro-phenyl]carbonylamino]-3-oxidanidylperoxysulfanyl-naphthalene-1,5-disulfonate Openeye Name: trisodium 8-[[4-(methoxymethyl)-3-nitro-benzoyl]amino]-3-oxidoperoxysulfanyl-naphthalene-1,5-disulfonate CAS Name: trisodium 8-[[[4-(methoxymethyl)-3-nitrophenyl]-oxomethyl]amino]-3-(oxidodioxythio)naphthalene-1,5-disulfonate IUPAC Name: trisodium 8-[[4-(methoxymethyl)-3-nitrobenzoyl]amino]-3-oxidoperoxysulfanylnaphthalene-1,5-disulfonate Traditional Name: trisodium 8-[[4-(methoxymethyl)-3-nitro-benzoyl]amino]-3-(oxidoperoxythio)naphthalene-1,5-disulfonate Formula: C19H13N2Na3O13S3 MolecularWeight: 642.47643

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)[O-])SOO[O-])S(=O)(=O)[O-])[N+](=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

COCC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)[O-])SOO[O-])S(=O)(=O)[O-])[N+](=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C19H16N2O13S3.3Na/c1-32-9-11-3-2-10(6-15(11)21(23)24)19(22)20-14-4-5-16(36(26,27)28)13-7-12(35-34-33-25)8-17(18(13)14)37(29,30)31;;;/h2-8,25H,9H2,1H3,(H,20,22)(H,26,27,28)(H,29,30,31);;;/q;3*+1/p-3