3-[(3-hydroxyphenyl)-(3-sulfopropyl)amino]propanoic acid

Systemtic Name: 3-[(3-hydroxyphenyl)-(3-sulfopropyl)amino]propanoic acid Openeye Name: 3-[3-hydroxy-N-(3-sulfopropyl)anilino]propanoic acid CAS Name: 3-[3-hydroxy-N-(3-sulfopropyl)anilino]propanoic acid IUPAC Name: 3-[3-hydroxy-N-(3-sulfopropyl)anilino]propanoic acid Traditional Name: 3-[3-hydroxy-N-(3-sulfopropyl)anilino]propionic acid Formula: C12H17NO6S MolecularWeight: 303.33148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)N(CCCS(=O)(=O)O)CCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)O)N(CCCS(=O)(=O)O)CCC(=O)O

InChI

InChI=1S/C12H17NO6S/c14-11-4-1-3-10(9-11)13(7-5-12(15)16)6-2-8-20(17,18)19/h1,3-4,9,14H,2,5-8H2,(H,15,16)(H,17,18,19)