7-azanyl-8-[(4-sulfophenyl)diazenyl]naphthalene-1,3-disulfonic acid

Systemtic Name: 7-azanyl-8-[(4-sulfophenyl)diazenyl]naphthalene-1,3-disulfonic acid Openeye Name: 7-amino-8-(4-sulfophenyl)azo-naphthalene-1,3-disulfonic acid CAS Name: 7-amino-8-(4-sulfophenyl)azonaphthalene-1,3-disulfonic acid IUPAC Name: 7-amino-8-[(4-sulfophenyl)diazenyl]naphthalene-1,3-disulfonic acid Traditional Name: 7-amino-8-(4-sulfophenyl)azo-naphthalene-1,3-disulfonic acid Formula: C16H13N3O9S3 MolecularWeight: 487.48412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=NC2=C(C=CC3=CC(=CC(=C32)S(=O)(=O)O)S(=O)(=O)O)N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1N=NC2=C(C=CC3=CC(=CC(=C32)S(=O)(=O)O)S(=O)(=O)O)N)S(=O)(=O)O

InChI

InChI=1S/C16H13N3O9S3/c17-13-6-1-9-7-12(30(23,24)25)8-14(31(26,27)28)15(9)16(13)19-18-10-2-4-11(5-3-10)29(20,21)22/h1-8H,17H2,(H,20,21,22)(H,23,24,25)(H,26,27,28)