2-[4-[3-(4-methylphenoxy)propoxy]phenyl]sulfanylhexanoic acid

Systemtic Name: 2-[4-[3-(4-methylphenoxy)propoxy]phenyl]sulfanylhexanoic acid Openeye Name: 2-[4-[3-(4-methylphenoxy)propoxy]phenyl]sulfanylhexanoic acid CAS Name: 2-[[4-[3-(4-methylphenoxy)propoxy]phenyl]thio]hexanoic acid IUPAC Name: 2-[4-[3-(4-methylphenoxy)propoxy]phenyl]sulfanylhexanoic acid Traditional Name: 2-[[4-[3-(4-methylphenoxy)propoxy]phenyl]thio]hexanoic acid Formula: C22H28O4S MolecularWeight: 388.52032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)SC1=CC=C(C=C1)OCCCOC2=CC=C(C=C2)C

Isomeric SMILES

CCCCC(C(=O)O)SC1=CC=C(C=C1)OCCCOC2=CC=C(C=C2)C

InChI

InChI=1S/C22H28O4S/c1-3-4-6-21(22(23)24)27-20-13-11-19(12-14-20)26-16-5-15-25-18-9-7-17(2)8-10-18/h7-14,21H,3-6,15-16H2,1-2H3,(H,23,24)