(2R)-2-[(4-propoxyphenyl)methylsulfanyl]butanedioic acid

Systemtic Name: (2R)-2-[(4-propoxyphenyl)methylsulfanyl]butanedioic acid Openeye Name: (2R)-2-[(4-propoxyphenyl)methylsulfanyl]butanedioic acid CAS Name: (2R)-2-[(4-propoxyphenyl)methylthio]butanedioic acid IUPAC Name: (2R)-2-[(4-propoxyphenyl)methylsulfanyl]butanedioic acid Traditional Name: (2R)-2-[(4-propoxybenzyl)thio]succinic acid Formula: C14H18O5S MolecularWeight: 298.35472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)CSC(CC(=O)O)C(=O)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)CS[C@H](CC(=O)O)C(=O)O

InChI

InChI=1S/C14H18O5S/c1-2-7-19-11-5-3-10(4-6-11)9-20-12(14(17)18)8-13(15)16/h3-6,12H,2,7-9H2,1H3,(H,15,16)(H,17,18)/t12-/m1/s1