sodium 5-azanyl-8-[[4-(carboxycarbonylamino)phenyl]diazenyl]naphthalene-2-sulfonate

Systemtic Name: sodium 5-azanyl-8-[[4-(carboxycarbonylamino)phenyl]diazenyl]naphthalene-2-sulfonate Openeye Name: sodium 5-amino-8-[4-(oxaloamino)phenyl]azo-naphthalene-2-sulfonate CAS Name: sodium 5-amino-8-[4-(oxaloamino)phenyl]azo-2-naphthalenesulfonate IUPAC Name: sodium 5-amino-8-[[4-(oxaloamino)phenyl]diazenyl]naphthalene-2-sulfonate Traditional Name: sodium 5-amino-8-[4-(oxaloamino)phenyl]azo-naphthalene-2-sulfonate Formula: C18H13N4NaO6S MolecularWeight: 436.37379

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C(=O)O)N=NC2=C3C=C(C=CC3=C(C=C2)N)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C(=O)O)N=NC2=C3C=C(C=CC3=C(C=C2)N)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H14N4O6S.Na/c19-15-7-8-16(14-9-12(29(26,27)28)5-6-13(14)15)22-21-11-3-1-10(2-4-11)20-17(23)18(24)25;/h1-9H,19H2,(H,20,23)(H,24,25)(H,26,27,28);/q;+1/p-1