7-[[2-acetamido-4-(methylamino)phenyl]diazenyl]-5-methyl-naphthalene-1,3-disulfonic acid

Systemtic Name: 7-[[2-acetamido-4-(methylamino)phenyl]diazenyl]-5-methyl-naphthalene-1,3-disulfonic acid Openeye Name: 7-[2-acetamido-4-(methylamino)phenyl]azo-5-methyl-naphthalene-1,3-disulfonic acid CAS Name: 7-[2-acetamido-4-(methylamino)phenyl]azo-5-methylnaphthalene-1,3-disulfonic acid IUPAC Name: 7-[[2-acetamido-4-(methylamino)phenyl]diazenyl]-5-methylnaphthalene-1,3-disulfonic acid Traditional Name: 7-[2-acetamido-4-(methylamino)phenyl]azo-5-methyl-naphthalene-1,3-disulfonic acid Formula: C20H20N4O7S2 MolecularWeight: 492.5254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C=C(C2=CC(=C1)N=NC3=C(C=C(C=C3)NC)NC(=O)C)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=C2C=C(C=C(C2=CC(=C1)N=NC3=C(C=C(C=C3)NC)NC(=O)C)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C20H20N4O7S2/c1-11-6-14(23-24-18-5-4-13(21-3)8-19(18)22-12(2)25)7-17-16(11)9-15(32(26,27)28)10-20(17)33(29,30)31/h4-10,21H,1-3H3,(H,22,25)(H,26,27,28)(H,29,30,31)