2-[4-(4-phenylbutoxy)phenyl]sulfanylethanoic acid

Systemtic Name: 2-[4-(4-phenylbutoxy)phenyl]sulfanylethanoic acid Openeye Name: 2-[4-(4-phenylbutoxy)phenyl]sulfanylacetic acid CAS Name: 2-[[4-(4-phenylbutoxy)phenyl]thio]acetic acid IUPAC Name: 2-[4-(4-phenylbutoxy)phenyl]sulfanylacetic acid Traditional Name: 2-[[4-(4-phenylbutoxy)phenyl]thio]acetic acid Formula: C18H20O3S MolecularWeight: 316.4146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)SCC(=O)O

InChI

InChI=1S/C18H20O3S/c19-18(20)14-22-17-11-9-16(10-12-17)21-13-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,9-12H,4-5,8,13-14H2,(H,19,20)