4-azanyl-3-methyl-5-sulfo-benzoic acid

Systemtic Name: 4-azanyl-3-methyl-5-sulfo-benzoic acid Openeye Name: 4-amino-3-methyl-5-sulfo-benzoic acid CAS Name: 4-amino-3-methyl-5-sulfobenzoic acid IUPAC Name: 4-amino-3-methyl-5-sulfobenzoic acid Traditional Name: 4-amino-3-methyl-5-sulfo-benzoic acid Formula: C8H9NO5S MolecularWeight: 231.22576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9NO5S/c1-4-2-5(8(10)11)3-6(7(4)9)15(12,13)14/h2-3H,9H2,1H3,(H,10,11)(H,12,13,14)