7-[[2-methyl-4-(methylideneamino)phenyl]diazenyl]-6-(trioxidanylsulfanyl)naphthalene-1,3-disulfonic acid

Systemtic Name: 7-[[2-methyl-4-(methylideneamino)phenyl]diazenyl]-6-(trioxidanylsulfanyl)naphthalene-1,3-disulfonic acid Openeye Name: 7-[2-methyl-4-(methyleneamino)phenyl]azo-6-(trioxidanylsulfanyl)naphthalene-1,3-disulfonic acid CAS Name: 7-[2-methyl-4-(methyleneamino)phenyl]azo-6-(trioxidanylthio)naphthalene-1,3-disulfonic acid IUPAC Name: 7-[[2-methyl-4-(methylideneamino)phenyl]diazenyl]-6-(trioxidanylsulfanyl)naphthalene-1,3-disulfonic acid Traditional Name: 7-[2-methyl-4-(methyleneamino)phenyl]azo-6-(trioxidanylthio)naphthalene-1,3-disulfonic acid Formula: C18H15N3O9S3 MolecularWeight: 513.5214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N=C)N=NC2=C(C=C3C=C(C=C(C3=C2)S(=O)(=O)O)S(=O)(=O)O)SOOO

Isomeric SMILES

CC1=C(C=CC(=C1)N=C)N=NC2=C(C=C3C=C(C=C(C3=C2)S(=O)(=O)O)S(=O)(=O)O)SOOO

InChI

InChI=1S/C18H15N3O9S3/c1-10-5-12(19-2)3-4-15(10)20-21-16-9-14-11(7-17(16)31-30-29-22)6-13(32(23,24)25)8-18(14)33(26,27)28/h3-9,22H,2H2,1H3,(H,23,24,25)(H,26,27,28)