2-[3-(3-methylphenoxy)propylsulfanyl]benzoic acid

Systemtic Name: 2-[3-(3-methylphenoxy)propylsulfanyl]benzoic acid Openeye Name: 2-[3-(3-methylphenoxy)propylsulfanyl]benzoic acid CAS Name: 2-[3-(3-methylphenoxy)propylthio]benzoic acid IUPAC Name: 2-[3-(3-methylphenoxy)propylsulfanyl]benzoic acid Traditional Name: 2-[3-(3-methylphenoxy)propylthio]benzoic acid Formula: C17H18O3S MolecularWeight: 302.38802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCSC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)OCCCSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C17H18O3S/c1-13-6-4-7-14(12-13)20-10-5-11-21-16-9-3-2-8-15(16)17(18)19/h2-4,6-9,12H,5,10-11H2,1H3,(H,18,19)