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

Systemtic Name: 8-azanyl-5-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonic acid Openeye Name: 8-amino-5-[4-(2-sulfooxyethylsulfonyl)phenyl]azo-naphthalene-2-sulfonic acid CAS Name: 8-amino-5-[4-(2-sulfooxyethylsulfonyl)phenyl]azo-2-naphthalenesulfonic acid IUPAC Name: 8-amino-5-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonic acid Traditional Name: 8-amino-5-[4-(2-sulfoxyethylsulfonyl)phenyl]azo-naphthalene-2-sulfonic acid Formula: C18H17N3O9S3 MolecularWeight: 515.53728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=NC2=C3C=CC(=CC3=C(C=C2)N)S(=O)(=O)O)S(=O)(=O)CCOS(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1N=NC2=C3C=CC(=CC3=C(C=C2)N)S(=O)(=O)O)S(=O)(=O)CCOS(=O)(=O)O

InChI

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