2-[(4-hydroxyphenyl)methyl]-2-sulfanyl-hexanoate

Systemtic Name: 2-[(4-hydroxyphenyl)methyl]-2-sulfanyl-hexanoate Openeye Name: 2-[(4-hydroxyphenyl)methyl]-2-sulfanyl-hexanoate CAS Name: 2-[(4-hydroxyphenyl)methyl]-2-mercaptohexanoate IUPAC Name: 2-[(4-hydroxyphenyl)methyl]-2-sulfanylhexanoate Traditional Name: 2-(4-hydroxybenzyl)-2-mercapto-hexanoate Formula: C13H17O3S- MolecularWeight: 253.33728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC1=CC=C(C=C1)O)(C(=O)[O-])S

Isomeric SMILES

CCCCC(CC1=CC=C(C=C1)O)(C(=O)[O-])S

InChI

InChI=1S/C13H18O3S/c1-2-3-8-13(17,12(15)16)9-10-4-6-11(14)7-5-10/h4-7,14,17H,2-3,8-9H2,1H3,(H,15,16)/p-1