6-azanyl-5-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-1-sulfonic acid

Systemtic Name: 6-azanyl-5-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-1-sulfonic acid Openeye Name: 6-amino-5-[4-(2-sulfooxyethylsulfonyl)phenyl]azo-naphthalene-1-sulfonic acid CAS Name: 6-amino-5-[4-(2-sulfooxyethylsulfonyl)phenyl]azo-1-naphthalenesulfonic acid IUPAC Name: 6-amino-5-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-1-sulfonic acid Traditional Name: 6-amino-5-[4-(2-sulfoxyethylsulfonyl)phenyl]azo-naphthalene-1-sulfonic acid Formula: C18H17N3O9S3 MolecularWeight: 515.53728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2N=NC3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)O)N)C(=C1)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=CC(=C2N=NC3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)O)N)C(=C1)S(=O)(=O)O

InChI

InChI=1S/C18H17N3O9S3/c19-16-9-8-14-15(2-1-3-17(14)32(24,25)26)18(16)21-20-12-4-6-13(7-5-12)31(22,23)11-10-30-33(27,28)29/h1-9H,10-11,19H2,(H,24,25,26)(H,27,28,29)