2-[(5-azanyl-2-methyl-4-sulfo-phenyl)amino]ethanoic acid

Systemtic Name: 2-[(5-azanyl-2-methyl-4-sulfo-phenyl)amino]ethanoic acid Openeye Name: 2-(5-amino-2-methyl-4-sulfo-anilino)acetic acid CAS Name: 2-(5-amino-2-methyl-4-sulfoanilino)acetic acid IUPAC Name: 2-(5-amino-2-methyl-4-sulfoanilino)acetic acid Traditional Name: 2-(5-amino-2-methyl-4-sulfo-anilino)acetic acid Formula: C9H12N2O5S MolecularWeight: 260.26698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NCC(=O)O)N)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1NCC(=O)O)N)S(=O)(=O)O

InChI

InChI=1S/C9H12N2O5S/c1-5-2-8(17(14,15)16)6(10)3-7(5)11-4-9(12)13/h2-3,11H,4,10H2,1H3,(H,12,13)(H,14,15,16)