disodium 7-[[2-(aminocarbonylamino)-4-azanyl-phenyl]diazenyl]-6-sulfo-naphthalene-1,3-disulfonate

Systemtic Name: disodium 7-[[2-(aminocarbonylamino)-4-azanyl-phenyl]diazenyl]-6-sulfo-naphthalene-1,3-disulfonate Openeye Name: disodium 7-(4-amino-2-ureido-phenyl)azo-6-sulfo-naphthalene-1,3-disulfonate CAS Name: disodium 7-[4-amino-2-(carbamoylamino)phenyl]azo-6-sulfonaphthalene-1,3-disulfonate IUPAC Name: disodium 7-[[4-amino-2-(carbamoylamino)phenyl]diazenyl]-6-sulfonaphthalene-1,3-disulfonate Traditional Name: disodium 7-(4-amino-2-ureido-phenyl)azo-6-sulfo-naphthalene-1,3-disulfonate Formula: C17H13N5Na2O10S3 MolecularWeight: 589.48716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)NC(=O)N)N=NC2=C(C=C3C=C(C=C(C3=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)O.[Na+].[Na+]

Isomeric SMILES

C1=CC(=C(C=C1N)NC(=O)N)N=NC2=C(C=C3C=C(C=C(C3=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)O.[Na+].[Na+]

InChI

InChI=1S/C17H15N5O10S3.2Na/c18-9-1-2-12(13(5-9)20-17(19)23)21-22-14-7-11-8(4-16(14)35(30,31)32)3-10(33(24,25)26)6-15(11)34(27,28)29;;/h1-7H,18H2,(H3,19,20,23)(H,24,25,26)(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2