6-(4-hydroxyphenyl)sulfanyl-5-oxidanyl-8-phenyl-octanoic acid

Systemtic Name: 6-(4-hydroxyphenyl)sulfanyl-5-oxidanyl-8-phenyl-octanoic acid Openeye Name: 5-hydroxy-6-(4-hydroxyphenyl)sulfanyl-8-phenyl-octanoic acid CAS Name: 5-hydroxy-6-[(4-hydroxyphenyl)thio]-8-phenyloctanoic acid IUPAC Name: 5-hydroxy-6-(4-hydroxyphenyl)sulfanyl-8-phenyloctanoic acid Traditional Name: 5-hydroxy-6-[(4-hydroxyphenyl)thio]-8-phenyl-caprylic acid Formula: C20H24O4S MolecularWeight: 360.46716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C(CCCC(=O)O)O)SC2=CC=C(C=C2)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(C(CCCC(=O)O)O)SC2=CC=C(C=C2)O

InChI

InChI=1S/C20H24O4S/c21-16-10-12-17(13-11-16)25-19(18(22)7-4-8-20(23)24)14-9-15-5-2-1-3-6-15/h1-3,5-6,10-13,18-19,21-22H,4,7-9,14H2,(H,23,24)