2-[4-[[4-(4-chlorophenyl)phenyl]methoxy]but-2-ynylsulfanyl]ethanoic acid

Systemtic Name: 2-[4-[[4-(4-chlorophenyl)phenyl]methoxy]but-2-ynylsulfanyl]ethanoic acid Openeye Name: 2-[4-[[4-(4-chlorophenyl)phenyl]methoxy]but-2-ynylsulfanyl]acetic acid CAS Name: 2-[4-[[4-(4-chlorophenyl)phenyl]methoxy]but-2-ynylthio]acetic acid IUPAC Name: 2-[4-[[4-(4-chlorophenyl)phenyl]methoxy]but-2-ynylsulfanyl]acetic acid Traditional Name: 2-[4-[4-(4-chlorophenyl)benzyl]oxybut-2-ynylthio]acetic acid Formula: C19H17ClO3S MolecularWeight: 360.85448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COCC#CCSCC(=O)O)C2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC(=CC=C1COCC#CCSCC(=O)O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H17ClO3S/c20-18-9-7-17(8-10-18)16-5-3-15(4-6-16)13-23-11-1-2-12-24-14-19(21)22/h3-10H,11-14H2,(H,21,22)