2-azanyl-3-methanethioyl-4-[(4-sulfophenyl)amino]benzenesulfonic acid

Systemtic Name: 2-azanyl-3-methanethioyl-4-[(4-sulfophenyl)amino]benzenesulfonic acid Openeye Name: 2-amino-3-methanethioyl-4-(4-sulfoanilino)benzenesulfonic acid CAS Name: 2-amino-3-methanethioyl-4-(4-sulfoanilino)benzenesulfonic acid IUPAC Name: 2-amino-3-methanethioyl-4-(4-sulfoanilino)benzenesulfonic acid Traditional Name: 2-amino-4-(4-sulfoanilino)-3-thioformyl-besylic acid Formula: C13H12N2O6S3 MolecularWeight: 388.43918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=C(C(=C(C=C2)S(=O)(=O)O)N)C=S)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC2=C(C(=C(C=C2)S(=O)(=O)O)N)C=S)S(=O)(=O)O

InChI

InChI=1S/C13H12N2O6S3/c14-13-10(7-22)11(5-6-12(13)24(19,20)21)15-8-1-3-9(4-2-8)23(16,17)18/h1-7,15H,14H2,(H,16,17,18)(H,19,20,21)