3-phenylpropyl (E)-prop-1-ene-1-sulfinate

Systemtic Name: 3-phenylpropyl (E)-prop-1-ene-1-sulfinate Openeye Name: 3-phenylpropyl (E)-prop-1-ene-1-sulfinate CAS Name: (E)-1-propene-1-sulfinic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl (E)-prop-1-ene-1-sulfinate Traditional Name: (E)-prop-1-ene-1-sulfinic acid 3-phenylpropyl ester Formula: C12H16O2S MolecularWeight: 224.31924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O2S/c1-2-11-15(13)14-10-6-9-12-7-4-3-5-8-12/h2-5,7-8,11H,6,9-10H2,1H3/b11-2+