2-[(4-hydroxyphenyl)methyl]-2-sulfanyl-hexanoic acid

Systemtic Name: 2-[(4-hydroxyphenyl)methyl]-2-sulfanyl-hexanoic acid Openeye Name: 2-[(4-hydroxyphenyl)methyl]-2-sulfanyl-hexanoic acid CAS Name: 2-[(4-hydroxyphenyl)methyl]-2-mercaptohexanoic acid IUPAC Name: 2-[(4-hydroxyphenyl)methyl]-2-sulfanylhexanoic acid Traditional Name: 2-(4-hydroxybenzyl)-2-mercapto-hexanoic acid Formula: C13H18O3S MolecularWeight: 254.34522

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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)