2-[[3-[(4-ethylphenyl)methoxy]phenyl]methylsulfanyl]ethanoic acid

Systemtic Name: 2-[[3-[(4-ethylphenyl)methoxy]phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[3-[(4-ethylphenyl)methoxy]phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[3-[(4-ethylphenyl)methoxy]phenyl]methylthio]acetic acid IUPAC Name: 2-[[3-[(4-ethylphenyl)methoxy]phenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[3-(4-ethylbenzyl)oxybenzyl]thio]acetic acid Formula: C18H20O3S MolecularWeight: 316.4146

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)COC2=CC=CC(=C2)CSCC(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)COC2=CC=CC(=C2)CSCC(=O)O

InChI

InChI=1S/C18H20O3S/c1-2-14-6-8-15(9-7-14)11-21-17-5-3-4-16(10-17)12-22-13-18(19)20/h3-10H,2,11-13H2,1H3,(H,19,20)