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

Systemtic Name: 4-azanyl-3-[(3-iodanylphenyl)diazenyl]-1,4,4a,8a-tetrahydronaphthalene-1-sulfonic acid Openeye Name: 4-amino-3-(3-iodophenyl)azo-1,4,4a,8a-tetrahydronaphthalene-1-sulfonic acid CAS Name: 4-amino-3-(3-iodophenyl)azo-1,4,4a,8a-tetrahydronaphthalene-1-sulfonic acid IUPAC Name: 4-amino-3-[(3-iodophenyl)diazenyl]-1,4,4a,8a-tetrahydronaphthalene-1-sulfonic acid Traditional Name: 4-amino-3-(3-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=CC2C(C=C1)C(C(=CC2S(=O)(=O)O)N=NC3=CC(=CC=C3)I)N

Isomeric SMILES

C1=CC2C(C=C1)C(C(=CC2S(=O)(=O)O)N=NC3=CC(=CC=C3)I)N

InChI

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