5-azanyl-2-(4-sulfanyl-2-sulfo-phenyl)benzenesulfonic acid

Systemtic Name: 5-azanyl-2-(4-sulfanyl-2-sulfo-phenyl)benzenesulfonic acid Openeye Name: 5-amino-2-(4-sulfanyl-2-sulfo-phenyl)benzenesulfonic acid CAS Name: 5-amino-2-(4-mercapto-2-sulfophenyl)benzenesulfonic acid IUPAC Name: 5-amino-2-(4-sulfanyl-2-sulfophenyl)benzenesulfonic acid Traditional Name: 5-amino-2-(4-mercapto-2-sulfo-phenyl)besylic acid Formula: C12H11NO6S3 MolecularWeight: 361.41384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)S(=O)(=O)O)C2=C(C=C(C=C2)S)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1N)S(=O)(=O)O)C2=C(C=C(C=C2)S)S(=O)(=O)O

InChI

InChI=1S/C12H11NO6S3/c13-7-1-3-9(11(5-7)21(14,15)16)10-4-2-8(20)6-12(10)22(17,18)19/h1-6,20H,13H2,(H,14,15,16)(H,17,18,19)