(1S,2S)-3-propan-2-ylsulfinylcyclohexa-3,5-diene-1,2-diol

Systemtic Name: (1S,2S)-3-propan-2-ylsulfinylcyclohexa-3,5-diene-1,2-diol Openeye Name: (1S,2S)-3-isopropylsulfinylcyclohexa-3,5-diene-1,2-diol CAS Name: (1S,2S)-3-propan-2-ylsulfinylcyclohexa-3,5-diene-1,2-diol IUPAC Name: (1S,2S)-3-propan-2-ylsulfinylcyclohexa-3,5-diene-1,2-diol Traditional Name: (1S,2S)-3-isopropylsulfinylcyclohexa-3,5-diene-1,2-diol Formula: C9H14O3S MolecularWeight: 202.27066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)C1=CC=CC(C1O)O

Isomeric SMILES

CC(C)S(=O)C1=CC=C[C@@H]([C@@H]1O)O

InChI

InChI=1S/C9H14O3S/c1-6(2)13(12)8-5-3-4-7(10)9(8)11/h3-7,9-11H,1-2H3/t7-,9-,13?/m0/s1