5-acetamido-8-azanyl-7-bromanyl-naphthalene-2-sulfonic acid

Systemtic Name: 5-acetamido-8-azanyl-7-bromanyl-naphthalene-2-sulfonic acid Openeye Name: 5-acetamido-8-amino-7-bromo-naphthalene-2-sulfonic acid CAS Name: 5-acetamido-8-amino-7-bromo-2-naphthalenesulfonic acid IUPAC Name: 5-acetamido-8-amino-7-bromonaphthalene-2-sulfonic acid Traditional Name: 5-acetamido-8-amino-7-bromo-naphthalene-2-sulfonic acid Formula: C12H11BrN2O4S MolecularWeight: 359.19574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C2=C1C=CC(=C2)S(=O)(=O)O)N)Br

Isomeric SMILES

CC(=O)NC1=CC(=C(C2=C1C=CC(=C2)S(=O)(=O)O)N)Br

InChI

InChI=1S/C12H11BrN2O4S/c1-6(16)15-11-5-10(13)12(14)9-4-7(20(17,18)19)2-3-8(9)11/h2-5H,14H2,1H3,(H,15,16)(H,17,18,19)