2-azanyl-4-chloranyl-benzoic acid; 2-azanyl-5-methyl-1,3-benzothiazole-4-sulfonic acid

Systemtic Name: 2-azanyl-4-chloranyl-benzoic acid; 2-azanyl-5-methyl-1,3-benzothiazole-4-sulfonic acid Openeye Name: 2-amino-4-chloro-benzoic acid; 2-amino-5-methyl-1,3-benzothiazole-4-sulfonic acid CAS Name: 2-amino-4-chlorobenzoic acid; 2-amino-5-methyl-1,3-benzothiazole-4-sulfonic acid IUPAC Name: 2-amino-4-chlorobenzoic acid; 2-amino-5-methyl-1,3-benzothiazole-4-sulfonic acid Traditional Name: 2-amino-4-chloro-benzoic acid; 2-amino-5-methyl-1,3-benzothiazole-4-sulfonic acid Formula: C15H14ClN3O5S2 MolecularWeight: 415.87176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N)S(=O)(=O)O.C1=CC(=C(C=C1Cl)N)C(=O)O

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N)S(=O)(=O)O.C1=CC(=C(C=C1Cl)N)C(=O)O

InChI

InChI=1S/C8H8N2O3S2.C7H6ClNO2/c1-4-2-3-5-6(10-8(9)14-5)7(4)15(11,12)13;8-4-1-2-5(7(10)11)6(9)3-4/h2-3H,1H3,(H2,9,10)(H,11,12,13);1-3H,9H2,(H,10,11)