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

Systemtic Name: 2-[2-(4-phenylphenyl)thian-2-yl]ethanoic acid Openeye Name: 2-[2-(4-phenylphenyl)tetrahydrothiopyran-2-yl]acetic acid CAS Name: 2-[2-(4-phenylphenyl)-2-thianyl]acetic acid IUPAC Name: 2-[2-(4-phenylphenyl)thian-2-yl]acetic acid Traditional Name: 2-[2-(4-phenylphenyl)tetrahydrothiopyran-2-yl]acetic acid Formula: C19H20O2S MolecularWeight: 312.4259

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20O2S/c20-18(21)14-19(12-4-5-13-22-19)17-10-8-16(9-11-17)15-6-2-1-3-7-15/h1-3,6-11H,4-5,12-14H2,(H,20,21)