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

Systemtic Name: 2-[4-[3-(3,4-dimethylphenoxy)propoxy]phenyl]sulfanylhexanoic acid Openeye Name: 2-[4-[3-(3,4-dimethylphenoxy)propoxy]phenyl]sulfanylhexanoic acid CAS Name: 2-[[4-[3-(3,4-dimethylphenoxy)propoxy]phenyl]thio]hexanoic acid IUPAC Name: 2-[4-[3-(3,4-dimethylphenoxy)propoxy]phenyl]sulfanylhexanoic acid Traditional Name: 2-[[4-[3-(3,4-dimethylphenoxy)propoxy]phenyl]thio]hexanoic acid Formula: C23H30O4S MolecularWeight: 402.5469

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H30O4S/c1-4-5-7-22(23(24)25)28-21-12-10-19(11-13-21)26-14-6-15-27-20-9-8-17(2)18(3)16-20/h8-13,16,22H,4-7,14-15H2,1-3H3,(H,24,25)