2-[(4-phenoxyphenyl)methyl]thiane-2-carboxylic acid

Systemtic Name: 2-[(4-phenoxyphenyl)methyl]thiane-2-carboxylic acid Openeye Name: 2-[(4-phenoxyphenyl)methyl]tetrahydrothiopyran-2-carboxylic acid CAS Name: 2-[(4-phenoxyphenyl)methyl]-2-thianecarboxylic acid IUPAC Name: 2-[(4-phenoxyphenyl)methyl]thiane-2-carboxylic acid Traditional Name: 2-(4-phenoxybenzyl)tetrahydrothiopyran-2-carboxylic acid Formula: C19H20O3S MolecularWeight: 328.4253

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Descriptors Computed from Structure

Canonical SMILES:

C1CCSC(C1)(CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CCSC(C1)(CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)O

InChI

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