4-azanyl-3-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-1-sulfonic acid

Systemtic Name: 4-azanyl-3-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-1-sulfonic acid Openeye Name: 4-amino-3-[4-(2-sulfooxyethylsulfonyl)phenyl]azo-naphthalene-1-sulfonic acid CAS Name: 4-amino-3-[4-(2-sulfooxyethylsulfonyl)phenyl]azo-1-naphthalenesulfonic acid IUPAC Name: 4-amino-3-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-1-sulfonic acid Traditional Name: 4-amino-3-[4-(2-sulfoxyethylsulfonyl)phenyl]azo-naphthalene-1-sulfonic acid Formula: C18H17N3O9S3 MolecularWeight: 515.53728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2N)N=NC3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2N)N=NC3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O

InChI

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