3-phenylpropyl (E)-3,3-dimethylbut-1-ene-1-sulfinate

Systemtic Name: 3-phenylpropyl (E)-3,3-dimethylbut-1-ene-1-sulfinate Openeye Name: 3-phenylpropyl (E)-3,3-dimethylbut-1-ene-1-sulfinate CAS Name: (E)-3,3-dimethyl-1-butene-1-sulfinic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl (E)-3,3-dimethylbut-1-ene-1-sulfinate Traditional Name: (E)-3,3-dimethylbut-1-ene-1-sulfinic acid 3-phenylpropyl ester Formula: C15H22O2S MolecularWeight: 266.39898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C=CS(=O)OCCCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)/C=C/S(=O)OCCCC1=CC=CC=C1

InChI

InChI=1S/C15H22O2S/c1-15(2,3)11-13-18(16)17-12-7-10-14-8-5-4-6-9-14/h4-6,8-9,11,13H,7,10,12H2,1-3H3/b13-11+