3-[(5-methyl-8-nitro-6-oxidanyl-naphthalen-2-yl)sulfonylamino]-5-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid

Systemtic Name: 3-[(5-methyl-8-nitro-6-oxidanyl-naphthalen-2-yl)sulfonylamino]-5-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid Openeye Name: 3-[(6-hydroxy-5-methyl-8-nitro-2-naphthyl)sulfonylamino]-5-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid CAS Name: 3-[(6-hydroxy-5-methyl-8-nitro-2-naphthalenyl)sulfonylamino]-5-(trioxidanylthio)-1-naphthalenesulfonic acid IUPAC Name: 3-[(6-hydroxy-5-methyl-8-nitronaphthalen-2-yl)sulfonylamino]-5-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid Traditional Name: 3-[(6-hydroxy-5-methyl-8-nitro-2-naphthyl)sulfonylamino]-5-(trioxidanylthio)naphthalene-1-sulfonic acid Formula: C21H16N2O11S3 MolecularWeight: 568.55354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C2=C1C=CC(=C2)S(=O)(=O)NC3=CC(=C4C=CC=C(C4=C3)SOOO)S(=O)(=O)O)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C=C(C2=C1C=CC(=C2)S(=O)(=O)NC3=CC(=C4C=CC=C(C4=C3)SOOO)S(=O)(=O)O)[N+](=O)[O-])O

InChI

InChI=1S/C21H16N2O11S3/c1-11-14-6-5-13(9-16(14)18(23(25)26)10-19(11)24)36(28,29)22-12-7-17-15(21(8-12)37(30,31)32)3-2-4-20(17)35-34-33-27/h2-10,22,24,27H,1H3,(H,30,31,32)