3-[(8-oxidanyl-6-sulfo-naphthalen-1-yl)amino]propanoic acid

Systemtic Name: 3-[(8-oxidanyl-6-sulfo-naphthalen-1-yl)amino]propanoic acid Openeye Name: 3-[(8-hydroxy-6-sulfo-1-naphthyl)amino]propanoic acid CAS Name: 3-[(8-hydroxy-6-sulfo-1-naphthalenyl)amino]propanoic acid IUPAC Name: 3-[(8-hydroxy-6-sulfonaphthalen-1-yl)amino]propanoic acid Traditional Name: 3-[(8-hydroxy-6-sulfo-1-naphthyl)amino]propionic acid Formula: C13H13NO6S MolecularWeight: 311.31042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(=CC(=C2C(=C1)NCCC(=O)O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC2=CC(=CC(=C2C(=C1)NCCC(=O)O)O)S(=O)(=O)O

InChI

InChI=1S/C13H13NO6S/c15-11-7-9(21(18,19)20)6-8-2-1-3-10(13(8)11)14-5-4-12(16)17/h1-3,6-7,14-15H,4-5H2,(H,16,17)(H,18,19,20)