2-azanylbenzene-1,4-disulfonic acid; 2-azanyl-4-chloranyl-5-methyl-benzenesulfonic acid

Systemtic Name: 2-azanylbenzene-1,4-disulfonic acid; 2-azanyl-4-chloranyl-5-methyl-benzenesulfonic acid Openeye Name: 2-aminobenzene-1,4-disulfonic acid; 2-amino-4-chloro-5-methyl-benzenesulfonic acid CAS Name: 2-aminobenzene-1,4-disulfonic acid; 2-amino-4-chloro-5-methylbenzenesulfonic acid IUPAC Name: 2-aminobenzene-1,4-disulfonic acid; 2-amino-4-chloro-5-methylbenzenesulfonic acid Traditional Name: 2-aminobenzene-1,4-disulfonic acid; 2-amino-4-chloro-5-methyl-besylic acid Formula: C13H15ClN2O9S3 MolecularWeight: 474.9142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)N)S(=O)(=O)O.C1=CC(=C(C=C1S(=O)(=O)O)N)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)N)S(=O)(=O)O.C1=CC(=C(C=C1S(=O)(=O)O)N)S(=O)(=O)O

InChI

InChI=1S/C7H8ClNO3S.C6H7NO6S2/c1-4-2-7(13(10,11)12)6(9)3-5(4)8;7-5-3-4(14(8,9)10)1-2-6(5)15(11,12)13/h2-3H,9H2,1H3,(H,10,11,12);1-3H,7H2,(H,8,9,10)(H,11,12,13)