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

Systemtic Name: 3-[(2-acetamido-4-azanyl-phenyl)diazenyl]-7-methyl-naphthalene-1,5-disulfonic acid Openeye Name: 3-(2-acetamido-4-amino-phenyl)azo-7-methyl-naphthalene-1,5-disulfonic acid CAS Name: 3-(2-acetamido-4-aminophenyl)azo-7-methylnaphthalene-1,5-disulfonic acid IUPAC Name: 3-[(2-acetamido-4-aminophenyl)diazenyl]-7-methylnaphthalene-1,5-disulfonic acid Traditional Name: 3-(2-acetamido-4-amino-phenyl)azo-7-methyl-naphthalene-1,5-disulfonic acid Formula: C19H18N4O7S2 MolecularWeight: 478.49882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O7S2/c1-10-5-14-15(18(6-10)31(25,26)27)8-13(9-19(14)32(28,29)30)22-23-16-4-3-12(20)7-17(16)21-11(2)24/h3-9H,20H2,1-2H3,(H,21,24)(H,25,26,27)(H,28,29,30)