3-[[3-methoxy-4-(methylsulfonylamino)phenyl]diazenyl]naphthalene-1,5-disulfonic acid

Systemtic Name: 3-[[3-methoxy-4-(methylsulfonylamino)phenyl]diazenyl]naphthalene-1,5-disulfonic acid Openeye Name: 3-[4-(methanesulfonamido)-3-methoxy-phenyl]azonaphthalene-1,5-disulfonic acid CAS Name: 3-[4-(methanesulfonamido)-3-methoxyphenyl]azonaphthalene-1,5-disulfonic acid IUPAC Name: 3-[[4-(methanesulfonamido)-3-methoxyphenyl]diazenyl]naphthalene-1,5-disulfonic acid Traditional Name: 3-[4-(methanesulfonamido)-3-methoxy-phenyl]azonaphthalene-1,5-disulfonic acid Formula: C18H17N3O9S3 MolecularWeight: 515.53728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N=NC2=CC(=C3C=CC=C(C3=C2)S(=O)(=O)O)S(=O)(=O)O)NS(=O)(=O)C

Isomeric SMILES

COC1=C(C=CC(=C1)N=NC2=CC(=C3C=CC=C(C3=C2)S(=O)(=O)O)S(=O)(=O)O)NS(=O)(=O)C

InChI

InChI=1S/C18H17N3O9S3/c1-30-16-9-11(6-7-15(16)21-31(2,22)23)19-20-12-8-14-13(18(10-12)33(27,28)29)4-3-5-17(14)32(24,25)26/h3-10,21H,1-2H3,(H,24,25,26)(H,27,28,29)