3-[(8-bromanyl-5-methyl-6-oxidanyl-naphthalen-2-yl)sulfonylamino]benzenesulfonic acid

Systemtic Name: 3-[(8-bromanyl-5-methyl-6-oxidanyl-naphthalen-2-yl)sulfonylamino]benzenesulfonic acid Openeye Name: 3-[(8-bromo-6-hydroxy-5-methyl-2-naphthyl)sulfonylamino]benzenesulfonic acid CAS Name: 3-[(8-bromo-6-hydroxy-5-methyl-2-naphthalenyl)sulfonylamino]benzenesulfonic acid IUPAC Name: 3-[(8-bromo-6-hydroxy-5-methylnaphthalen-2-yl)sulfonylamino]benzenesulfonic acid Traditional Name: 3-[(8-bromo-6-hydroxy-5-methyl-2-naphthyl)sulfonylamino]besylic acid Formula: C17H14BrNO6S2 MolecularWeight: 472.33016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC(=CC2=C(C=C1O)Br)S(=O)(=O)NC3=CC(=CC=C3)S(=O)(=O)O

Isomeric SMILES

CC1=C2C=CC(=CC2=C(C=C1O)Br)S(=O)(=O)NC3=CC(=CC=C3)S(=O)(=O)O

InChI

InChI=1S/C17H14BrNO6S2/c1-10-14-6-5-12(8-15(14)16(18)9-17(10)20)26(21,22)19-11-3-2-4-13(7-11)27(23,24)25/h2-9,19-20H,1H3,(H,23,24,25)