(1R,3S)-3-azaniumyl-1-phenyl-butane-1-sulfonate

Systemtic Name: (1R,3S)-3-azaniumyl-1-phenyl-butane-1-sulfonate Openeye Name: (1R,3S)-3-azaniumyl-1-phenyl-butane-1-sulfonate CAS Name: (1R,3S)-3-ammonio-1-phenyl-1-butanesulfonate IUPAC Name: (1R,3S)-3-azaniumyl-1-phenylbutane-1-sulfonate Traditional Name: (1R,3S)-3-ammonio-1-phenyl-butane-1-sulfonate Formula: C10H15NO3S MolecularWeight: 229.296

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C1=CC=CC=C1)S(=O)(=O)[O-])[NH3+]

Isomeric SMILES

C[C@@H](C[C@H](C1=CC=CC=C1)S(=O)(=O)[O-])[NH3+]

InChI

InChI=1S/C10H15NO3S/c1-8(11)7-10(15(12,13)14)9-5-3-2-4-6-9/h2-6,8,10H,7,11H2,1H3,(H,12,13,14)/t8-,10+/m0/s1