3-[[2-(aminocarbonylamino)-4-methyl-phenyl]diazenyl]-5,7-dimethyl-naphthalene-2-sulfonic acid

Systemtic Name: 3-[[2-(aminocarbonylamino)-4-methyl-phenyl]diazenyl]-5,7-dimethyl-naphthalene-2-sulfonic acid Openeye Name: 5,7-dimethyl-3-(4-methyl-2-ureido-phenyl)azo-naphthalene-2-sulfonic acid CAS Name: 3-[2-(carbamoylamino)-4-methylphenyl]azo-5,7-dimethyl-2-naphthalenesulfonic acid IUPAC Name: 3-[[2-(carbamoylamino)-4-methylphenyl]diazenyl]-5,7-dimethylnaphthalene-2-sulfonic acid Traditional Name: 5,7-dimethyl-3-(4-methyl-2-ureido-phenyl)azo-naphthalene-2-sulfonic acid Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N=NC2=CC3=C(C=C(C=C3C=C2S(=O)(=O)O)C)C)NC(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)N=NC2=CC3=C(C=C(C=C3C=C2S(=O)(=O)O)C)C)NC(=O)N

InChI

InChI=1S/C20H20N4O4S/c1-11-4-5-16(17(8-11)22-20(21)25)23-24-18-10-15-13(3)6-12(2)7-14(15)9-19(18)29(26,27)28/h4-10H,1-3H3,(H3,21,22,25)(H,26,27,28)