2-[2-(4-phenoxyphenyl)thian-2-yl]ethanoic acid

Systemtic Name: 2-[2-(4-phenoxyphenyl)thian-2-yl]ethanoic acid Openeye Name: 2-[2-(4-phenoxyphenyl)tetrahydrothiopyran-2-yl]acetic acid CAS Name: 2-[2-(4-phenoxyphenyl)-2-thianyl]acetic acid IUPAC Name: 2-[2-(4-phenoxyphenyl)thian-2-yl]acetic acid Traditional Name: 2-[2-(4-phenoxyphenyl)tetrahydrothiopyran-2-yl]acetic acid Formula: C19H20O3S MolecularWeight: 328.4253

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Descriptors Computed from Structure

Canonical SMILES:

C1CCSC(C1)(CC(=O)O)C2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

C1CCSC(C1)(CC(=O)O)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C19H20O3S/c20-18(21)14-19(12-4-5-13-23-19)15-8-10-17(11-9-15)22-16-6-2-1-3-7-16/h1-3,6-11H,4-5,12-14H2,(H,20,21)