3-azanyl-4-(4-methyl-3-sulfo-phenyl)sulfonyl-benzoic acid

Systemtic Name: 3-azanyl-4-(4-methyl-3-sulfo-phenyl)sulfonyl-benzoic acid Openeye Name: 3-amino-4-(4-methyl-3-sulfo-phenyl)sulfonyl-benzoic acid CAS Name: 3-amino-4-(4-methyl-3-sulfophenyl)sulfonylbenzoic acid IUPAC Name: 3-amino-4-(4-methyl-3-sulfophenyl)sulfonylbenzoic acid Traditional Name: 3-amino-4-(4-methyl-3-sulfo-phenyl)sulfonyl-benzoic acid Formula: C14H13NO7S2 MolecularWeight: 371.38552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)C(=O)O)N)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)C(=O)O)N)S(=O)(=O)O

InChI

InChI=1S/C14H13NO7S2/c1-8-2-4-10(7-13(8)24(20,21)22)23(18,19)12-5-3-9(14(16)17)6-11(12)15/h2-7H,15H2,1H3,(H,16,17)(H,20,21,22)