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

Systemtic Name: 3-[[5-methyl-6,8-bis(oxidanyl)naphthalen-2-yl]sulfonylamino]benzenesulfonic acid Openeye Name: 3-[(6,8-dihydroxy-5-methyl-2-naphthyl)sulfonylamino]benzenesulfonic acid CAS Name: 3-[(6,8-dihydroxy-5-methyl-2-naphthalenyl)sulfonylamino]benzenesulfonic acid IUPAC Name: 3-[(6,8-dihydroxy-5-methylnaphthalen-2-yl)sulfonylamino]benzenesulfonic acid Traditional Name: 3-[(6,8-dihydroxy-5-methyl-2-naphthyl)sulfonylamino]besylic acid Formula: C17H15NO7S2 MolecularWeight: 409.4335

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C2=C1C=CC(=C2)S(=O)(=O)NC3=CC(=CC=C3)S(=O)(=O)O)O)O

Isomeric SMILES

CC1=C(C=C(C2=C1C=CC(=C2)S(=O)(=O)NC3=CC(=CC=C3)S(=O)(=O)O)O)O

InChI

InChI=1S/C17H15NO7S2/c1-10-14-6-5-12(8-15(14)17(20)9-16(10)19)26(21,22)18-11-3-2-4-13(7-11)27(23,24)25/h2-9,18-20H,1H3,(H,23,24,25)