2-azanyl-5-[(4-sulfanyl-3-sulfo-phenyl)amino]benzene-1,4-disulfonic acid

Systemtic Name: 2-azanyl-5-[(4-sulfanyl-3-sulfo-phenyl)amino]benzene-1,4-disulfonic acid Openeye Name: 2-amino-5-(4-sulfanyl-3-sulfo-anilino)benzene-1,4-disulfonic acid CAS Name: 2-amino-5-(4-mercapto-3-sulfoanilino)benzene-1,4-disulfonic acid IUPAC Name: 2-amino-5-(4-sulfanyl-3-sulfoanilino)benzene-1,4-disulfonic acid Traditional Name: 2-amino-5-(4-mercapto-3-sulfo-anilino)benzene-1,4-disulfonic acid Formula: C12H12N2O9S4 MolecularWeight: 456.49168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O9S4/c13-7-4-11(26(18,19)20)8(5-10(7)25(15,16)17)14-6-1-2-9(24)12(3-6)27(21,22)23/h1-5,14,24H,13H2,(H,15,16,17)(H,18,19,20)(H,21,22,23)