sodium (1S)-1-(4-tert-butylphenyl)ethanesulfonate

Systemtic Name: sodium (1S)-1-(4-tert-butylphenyl)ethanesulfonate Openeye Name: sodium (1S)-1-(4-tert-butylphenyl)ethanesulfonate CAS Name: sodium (1S)-1-(4-tert-butylphenyl)ethanesulfonate IUPAC Name: sodium (1S)-1-(4-tert-butylphenyl)ethanesulfonate Traditional Name: sodium (1S)-1-(4-tert-butylphenyl)ethanesulfonate Formula: C12H17NaO3S MolecularWeight: 264.31635

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18O3S.Na/c1-9(16(13,14)15)10-5-7-11(8-6-10)12(2,3)4;/h5-9H,1-4H3,(H,13,14,15);/q;+1/p-1/t9-;/m0./s1