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

Systemtic Name: (Z,2S,5R)-4-methyl-7-oxidanylidene-5-phenylmethoxy-oct-3-ene-2-sulfinic acid Openeye Name: (Z,2S,5R)-5-benzyloxy-4-methyl-7-oxo-oct-3-ene-2-sulfinic acid CAS Name: (Z,2S,5R)-4-methyl-7-oxo-5-phenylmethoxy-3-octene-2-sulfinic acid IUPAC Name: (Z,2S,5R)-4-methyl-7-oxo-5-phenylmethoxyoct-3-ene-2-sulfinic acid Traditional Name: (Z,2S,5R)-5-benzoxy-7-keto-4-methyl-oct-3-ene-2-sulfinic acid Formula: C16H22O4S MolecularWeight: 310.40848

Click to see the large picture

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)/b12-9-/t14-,16+/m0/s1