4-azanylbenzene-1,3-disulfonic acid; 4-azanyl-3-chloranyl-benzenesulfonic acid

Systemtic Name: 4-azanylbenzene-1,3-disulfonic acid; 4-azanyl-3-chloranyl-benzenesulfonic acid Openeye Name: 4-aminobenzene-1,3-disulfonic acid; 4-amino-3-chloro-benzenesulfonic acid CAS Name: 4-aminobenzene-1,3-disulfonic acid; 4-amino-3-chlorobenzenesulfonic acid IUPAC Name: 4-aminobenzene-1,3-disulfonic acid; 4-amino-3-chlorobenzenesulfonic acid Traditional Name: 4-aminobenzene-1,3-disulfonic acid; 4-amino-3-chloro-besylic acid Formula: C12H13ClN2O9S3 MolecularWeight: 460.88762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)O)S(=O)(=O)O)N.C1=CC(=C(C=C1S(=O)(=O)O)Cl)N

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)O)S(=O)(=O)O)N.C1=CC(=C(C=C1S(=O)(=O)O)Cl)N

InChI

InChI=1S/C6H6ClNO3S.C6H7NO6S2/c7-5-3-4(12(9,10)11)1-2-6(5)8;7-5-2-1-4(14(8,9)10)3-6(5)15(11,12)13/h1-3H,8H2,(H,9,10,11);1-3H,7H2,(H,8,9,10)(H,11,12,13)