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

Systemtic Name: 5-[[3-azanyl-5-[[6-(trioxidanylsulfanyl)naphthalen-1-yl]carbamoyl]phenyl]carbonylamino]naphthalene-2-sulfonic acid Openeye Name: 5-[[3-amino-5-[[6-(trioxidanylsulfanyl)-1-naphthyl]carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid CAS Name: 5-[[[3-amino-5-[oxo-[[6-(trioxidanylthio)-1-naphthalenyl]amino]methyl]phenyl]-oxomethyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 5-[[3-amino-5-[[6-(trioxidanylsulfanyl)naphthalen-1-yl]carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid Traditional Name: 5-[[3-amino-5-[[6-(trioxidanylthio)-1-naphthyl]carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid Formula: C28H21N3O8S2 MolecularWeight: 591.61164

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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)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)C(=O)NC4=CC=CC5=C4C=CC(=C5)S(=O)(=O)O

InChI

InChI=1S/C28H21N3O8S2/c29-20-12-18(27(32)30-25-5-1-3-16-14-21(40-39-38-34)7-9-23(16)25)11-19(13-20)28(33)31-26-6-2-4-17-15-22(41(35,36)37)8-10-24(17)26/h1-15,34H,29H2,(H,30,32)(H,31,33)(H,35,36,37)