(Z,2S,5R)-4-methyl-7-oxidanylidene-5-phenylmethoxy-oct-3-ene-2-sulfinate

Systemtic Name: (Z,2S,5R)-4-methyl-7-oxidanylidene-5-phenylmethoxy-oct-3-ene-2-sulfinate Openeye Name: (Z,2S,5R)-5-benzyloxy-4-methyl-7-oxo-oct-3-ene-2-sulfinate CAS Name: (Z,2S,5R)-4-methyl-7-oxo-5-phenylmethoxy-3-octene-2-sulfinate IUPAC Name: (Z,2S,5R)-4-methyl-7-oxo-5-phenylmethoxyoct-3-ene-2-sulfinate Traditional Name: (Z,2S,5R)-5-benzoxy-7-keto-4-methyl-oct-3-ene-2-sulfinate Formula: C16H21O4S- MolecularWeight: 309.40054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=C(C)C(CC(=O)C)OCC1=CC=CC=C1)S(=O)[O-]

Isomeric SMILES

C[C@@H](/C=C(/C)\[C@@H](CC(=O)C)OCC1=CC=CC=C1)S(=O)[O-]

InChI

InChI=1S/C16H22O4S/c1-12(9-14(3)21(18)19)16(10-13(2)17)20-11-15-7-5-4-6-8-15/h4-9,14,16H,10-11H2,1-3H3,(H,18,19)/p-1/b12-9-/t14-,16+/m0/s1