3-phenylazanylpropane-1-sulfonate

Systemtic Name: 3-phenylazanylpropane-1-sulfonate Openeye Name: 3-anilinopropane-1-sulfonate CAS Name: 3-anilino-1-propanesulfonate IUPAC Name: 3-anilinopropane-1-sulfonate Traditional Name: 3-anilinopropane-1-sulfonate Formula: C9H12NO3S- MolecularWeight: 214.26148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NCCCS(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NCCCS(=O)(=O)[O-]

InChI

InChI=1S/C9H13NO3S/c11-14(12,13)8-4-7-10-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,11,12,13)/p-1