2-[4-(3-phenoxypropoxy)phenyl]sulfanylhexanoic acid

Systemtic Name: 2-[4-(3-phenoxypropoxy)phenyl]sulfanylhexanoic acid Openeye Name: 2-[4-(3-phenoxypropoxy)phenyl]sulfanylhexanoic acid CAS Name: 2-[[4-(3-phenoxypropoxy)phenyl]thio]hexanoic acid IUPAC Name: 2-[4-(3-phenoxypropoxy)phenyl]sulfanylhexanoic acid Traditional Name: 2-[[4-(3-phenoxypropoxy)phenyl]thio]hexanoic acid Formula: C21H26O4S MolecularWeight: 374.49374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26O4S/c1-2-3-10-20(21(22)23)26-19-13-11-18(12-14-19)25-16-7-15-24-17-8-5-4-6-9-17/h4-6,8-9,11-14,20H,2-3,7,10,15-16H2,1H3,(H,22,23)