5-ethylsulfanyl-5-(3-hydroxyphenyl)pentanoic acid

Systemtic Name: 5-ethylsulfanyl-5-(3-hydroxyphenyl)pentanoic acid Openeye Name: 5-ethylsulfanyl-5-(3-hydroxyphenyl)pentanoic acid CAS Name: 5-(ethylthio)-5-(3-hydroxyphenyl)pentanoic acid IUPAC Name: 5-ethylsulfanyl-5-(3-hydroxyphenyl)pentanoic acid Traditional Name: 5-(ethylthio)-5-(3-hydroxyphenyl)valeric acid Formula: C13H18O3S MolecularWeight: 254.34522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC(CCCC(=O)O)C1=CC(=CC=C1)O

Isomeric SMILES

CCSC(CCCC(=O)O)C1=CC(=CC=C1)O

InChI

InChI=1S/C13H18O3S/c1-2-17-12(7-4-8-13(15)16)10-5-3-6-11(14)9-10/h3,5-6,9,12,14H,2,4,7-8H2,1H3,(H,15,16)