(1R,2R,4S,5S)-4-oxidanyl-5-phenylsulfanyl-cyclohexane-1,2-dicarboxylic acid

Systemtic Name: (1R,2R,4S,5S)-4-oxidanyl-5-phenylsulfanyl-cyclohexane-1,2-dicarboxylic acid Openeye Name: (1R,2R,4S,5S)-4-hydroxy-5-phenylsulfanyl-cyclohexane-1,2-dicarboxylic acid CAS Name: (1R,2R,4S,5S)-4-hydroxy-5-(phenylthio)cyclohexane-1,2-dicarboxylic acid IUPAC Name: (1R,2R,4S,5S)-4-hydroxy-5-phenylsulfanylcyclohexane-1,2-dicarboxylic acid Traditional Name: (1R,2R,4S,5S)-4-hydroxy-5-(phenylthio)cyclohexane-1,2-dicarboxylic acid Formula: C14H16O5S MolecularWeight: 296.33884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CC(C1O)SC2=CC=CC=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1[C@H]([C@@H](C[C@@H]([C@H]1O)SC2=CC=CC=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C14H16O5S/c15-11-6-9(13(16)17)10(14(18)19)7-12(11)20-8-4-2-1-3-5-8/h1-5,9-12,15H,6-7H2,(H,16,17)(H,18,19)/t9-,10-,11+,12+/m1/s1