5-[[3-nitro-5-[[6-(trioxidanylsulfanyl)naphthalen-1-yl]carbamoyl]phenyl]carbonylamino]naphthalene-2-sulfonic acid

Systemtic Name: 5-[[3-nitro-5-[[6-(trioxidanylsulfanyl)naphthalen-1-yl]carbamoyl]phenyl]carbonylamino]naphthalene-2-sulfonic acid Openeye Name: 5-[[3-nitro-5-[[6-(trioxidanylsulfanyl)-1-naphthyl]carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid CAS Name: 5-[[[3-nitro-5-[oxo-[[6-(trioxidanylthio)-1-naphthalenyl]amino]methyl]phenyl]-oxomethyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 5-[[3-nitro-5-[[6-(trioxidanylsulfanyl)naphthalen-1-yl]carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid Traditional Name: 5-[[3-nitro-5-[[6-(trioxidanylthio)-1-naphthyl]carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid Formula: C28H19N3O10S2 MolecularWeight: 621.59456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)SOOO)C(=C1)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)NC4=CC=CC5=C4C=CC(=C5)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=CC(=C2)SOOO)C(=C1)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)NC4=CC=CC5=C4C=CC(=C5)S(=O)(=O)O

InChI

InChI=1S/C28H19N3O10S2/c32-27(29-25-5-1-3-16-14-21(42-41-40-36)7-9-23(16)25)18-11-19(13-20(12-18)31(34)35)28(33)30-26-6-2-4-17-15-22(43(37,38)39)8-10-24(17)26/h1-15,36H,(H,29,32)(H,30,33)(H,37,38,39)