2-(5-phenethylsulfanyl-2H-pyran-6-yl)benzoic acid

Systemtic Name: 2-(5-phenethylsulfanyl-2H-pyran-6-yl)benzoic acid Openeye Name: 2-(5-phenethylsulfanyl-2H-pyran-6-yl)benzoic acid CAS Name: 2-[5-(phenethylthio)-2H-pyran-6-yl]benzoic acid IUPAC Name: 2-(5-phenethylsulfanyl-2H-pyran-6-yl)benzoic acid Traditional Name: 2-[5-(phenethylthio)-2H-pyran-6-yl]benzoic acid Formula: C20H18O3S MolecularWeight: 338.42012

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(=C(O1)C2=CC=CC=C2C(=O)O)SCCC3=CC=CC=C3

Isomeric SMILES

C1C=CC(=C(O1)C2=CC=CC=C2C(=O)O)SCCC3=CC=CC=C3

InChI

InChI=1S/C20H18O3S/c21-20(22)17-10-5-4-9-16(17)19-18(11-6-13-23-19)24-14-12-15-7-2-1-3-8-15/h1-11H,12-14H2,(H,21,22)