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

Systemtic Name: 2-azanyl-5-[(4-azanyl-2-sulfo-phenyl)amino]benzene-1,4-disulfonic acid Openeye Name: 2-amino-5-(4-amino-2-sulfo-anilino)benzene-1,4-disulfonic acid CAS Name: 2-amino-5-(4-amino-2-sulfoanilino)benzene-1,4-disulfonic acid IUPAC Name: 2-amino-5-(4-amino-2-sulfoanilino)benzene-1,4-disulfonic acid Traditional Name: 2-amino-5-(4-amino-2-sulfo-anilino)benzene-1,4-disulfonic acid Formula: C12H13N3O9S3 MolecularWeight: 439.44132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)S(=O)(=O)O)NC2=C(C=C(C(=C2)S(=O)(=O)O)N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1N)S(=O)(=O)O)NC2=C(C=C(C(=C2)S(=O)(=O)O)N)S(=O)(=O)O

InChI

InChI=1S/C12H13N3O9S3/c13-6-1-2-8(11(3-6)26(19,20)21)15-9-5-10(25(16,17)18)7(14)4-12(9)27(22,23)24/h1-5,15H,13-14H2,(H,16,17,18)(H,19,20,21)(H,22,23,24)