sodium (1R,3S)-3-azido-1-phenyl-butane-1-sulfonate

Systemtic Name: sodium (1R,3S)-3-azido-1-phenyl-butane-1-sulfonate Openeye Name: sodium (1R,3S)-3-azido-1-phenyl-butane-1-sulfonate CAS Name: sodium (1R,3S)-3-azido-1-phenyl-1-butanesulfonate IUPAC Name: sodium (1R,3S)-3-azido-1-phenylbutane-1-sulfonate Traditional Name: sodium (1R,3S)-3-azido-1-phenyl-butane-1-sulfonate Formula: C10H12N3NaO3S MolecularWeight: 277.27535

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C1=CC=CC=C1)S(=O)(=O)[O-])N=[N+]=[N-].[Na+]

Isomeric SMILES

C[C@@H](C[C@H](C1=CC=CC=C1)S(=O)(=O)[O-])N=[N+]=[N-].[Na+]

InChI

InChI=1S/C10H13N3O3S.Na/c1-8(12-13-11)7-10(17(14,15)16)9-5-3-2-4-6-9;/h2-6,8,10H,7H2,1H3,(H,14,15,16);/q;+1/p-1/t8-,10+;/m0./s1