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

Systemtic Name: 7-[[2-(aminocarbonylamino)-4-(methylamino)phenyl]diazenyl]-3-methyl-naphthalene-1,6-disulfonic acid Openeye Name: 3-methyl-7-[4-(methylamino)-2-ureido-phenyl]azo-naphthalene-1,6-disulfonic acid CAS Name: 7-[2-(carbamoylamino)-4-(methylamino)phenyl]azo-3-methylnaphthalene-1,6-disulfonic acid IUPAC Name: 7-[[2-(carbamoylamino)-4-(methylamino)phenyl]diazenyl]-3-methylnaphthalene-1,6-disulfonic acid Traditional Name: 3-methyl-7-[4-(methylamino)-2-ureido-phenyl]azo-naphthalene-1,6-disulfonic acid Formula: C19H19N5O7S2 MolecularWeight: 493.51346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=CC2=C1)S(=O)(=O)O)N=NC3=C(C=C(C=C3)NC)NC(=O)N)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C2C=C(C(=CC2=C1)S(=O)(=O)O)N=NC3=C(C=C(C=C3)NC)NC(=O)N)S(=O)(=O)O

InChI

InChI=1S/C19H19N5O7S2/c1-10-5-11-7-18(33(29,30)31)16(9-13(11)17(6-10)32(26,27)28)24-23-14-4-3-12(21-2)8-15(14)22-19(20)25/h3-9,21H,1-2H3,(H3,20,22,25)(H,26,27,28)(H,29,30,31)