6-[[2-acetamido-5-methoxy-4-(methylamino)phenyl]diazenyl]-7-(trioxidanylsulfanyl)naphthalene-1,4-disulfonic acid

Systemtic Name: 6-[[2-acetamido-5-methoxy-4-(methylamino)phenyl]diazenyl]-7-(trioxidanylsulfanyl)naphthalene-1,4-disulfonic acid Openeye Name: 6-[2-acetamido-5-methoxy-4-(methylamino)phenyl]azo-7-(trioxidanylsulfanyl)naphthalene-1,4-disulfonic acid CAS Name: 6-[2-acetamido-5-methoxy-4-(methylamino)phenyl]azo-7-(trioxidanylthio)naphthalene-1,4-disulfonic acid IUPAC Name: 6-[[2-acetamido-5-methoxy-4-(methylamino)phenyl]diazenyl]-7-(trioxidanylsulfanyl)naphthalene-1,4-disulfonic acid Traditional Name: 6-[2-acetamido-5-methoxy-4-(methylamino)phenyl]azo-7-(trioxidanylthio)naphthalene-1,4-disulfonic acid Formula: C20H20N4O11S3 MolecularWeight: 588.588

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1N=NC2=CC3=C(C=CC(=C3C=C2SOOO)S(=O)(=O)O)S(=O)(=O)O)OC)NC

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1N=NC2=CC3=C(C=CC(=C3C=C2SOOO)S(=O)(=O)O)S(=O)(=O)O)OC)NC

InChI

InChI=1S/C20H20N4O11S3/c1-10(25)22-13-8-15(21-2)17(33-3)9-14(13)23-24-16-6-11-12(7-18(16)36-35-34-26)20(38(30,31)32)5-4-19(11)37(27,28)29/h4-9,21,26H,1-3H3,(H,22,25)(H,27,28,29)(H,30,31,32)