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

Systemtic Name: 7-[[2-(aminocarbonylamino)-4-(methylamino)phenyl]diazenyl]-6-sulfinooxy-naphthalene-1,3-disulfonic acid Openeye Name: 7-[4-(methylamino)-2-ureido-phenyl]azo-6-sulfinooxy-naphthalene-1,3-disulfonic acid CAS Name: 7-[2-(carbamoylamino)-4-(methylamino)phenyl]azo-6-sulfinooxynaphthalene-1,3-disulfonic acid IUPAC Name: 7-[[2-(carbamoylamino)-4-(methylamino)phenyl]diazenyl]-6-sulfinooxynaphthalene-1,3-disulfonic acid Traditional Name: 7-[4-(methylamino)-2-ureido-phenyl]azo-6-sulfinooxy-naphthalene-1,3-disulfonic acid Formula: C18H17N5O10S3 MolecularWeight: 559.55008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC(=C(C=C1)N=NC2=C(C=C3C=C(C=C(C3=C2)S(=O)(=O)O)S(=O)(=O)O)OS(=O)O)NC(=O)N

Isomeric SMILES

CNC1=CC(=C(C=C1)N=NC2=C(C=C3C=C(C=C(C3=C2)S(=O)(=O)O)S(=O)(=O)O)OS(=O)O)NC(=O)N

InChI

InChI=1S/C18H17N5O10S3/c1-20-10-2-3-13(14(6-10)21-18(19)24)22-23-15-8-12-9(5-16(15)33-34(25)26)4-11(35(27,28)29)7-17(12)36(30,31)32/h2-8,20H,1H3,(H,25,26)(H3,19,21,24)(H,27,28,29)(H,30,31,32)