4-azanyl-3-[(2-iodanylphenyl)diazenyl]-1,4,4a,8a-tetrahydronaphthalene-1-sulfonic acid

Systemtic Name: 4-azanyl-3-[(2-iodanylphenyl)diazenyl]-1,4,4a,8a-tetrahydronaphthalene-1-sulfonic acid Openeye Name: 4-amino-3-(2-iodophenyl)azo-1,4,4a,8a-tetrahydronaphthalene-1-sulfonic acid CAS Name: 4-amino-3-(2-iodophenyl)azo-1,4,4a,8a-tetrahydronaphthalene-1-sulfonic acid IUPAC Name: 4-amino-3-[(2-iodophenyl)diazenyl]-1,4,4a,8a-tetrahydronaphthalene-1-sulfonic acid Traditional Name: 4-amino-3-(2-iodophenyl)azo-1,4,4a,8a-tetrahydronaphthalene-1-sulfonic acid Formula: C16H16IN3O3S MolecularWeight: 457.28601

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N=NC2=CC(C3C=CC=CC3C2N)S(=O)(=O)O)I

Isomeric SMILES

C1=CC=C(C(=C1)N=NC2=CC(C3C=CC=CC3C2N)S(=O)(=O)O)I

InChI

InChI=1S/C16H16IN3O3S/c17-12-7-3-4-8-13(12)19-20-14-9-15(24(21,22)23)10-5-1-2-6-11(10)16(14)18/h1-11,15-16H,18H2,(H,21,22,23)