(2R,4R)-4-phenyl-3,4-dihydro-2H-thiochromene-2-carboxylic acid

Systemtic Name: (2R,4R)-4-phenyl-3,4-dihydro-2H-thiochromene-2-carboxylic acid Openeye Name: (2R,4R)-4-phenylthiochromane-2-carboxylic acid CAS Name: (2R,4R)-4-phenyl-3,4-dihydro-2H-1-benzothiopyran-2-carboxylic acid IUPAC Name: (2R,4R)-4-phenyl-3,4-dihydro-2H-thiochromene-2-carboxylic acid Traditional Name: (2R,4R)-4-phenylthiochroman-2-carboxylic acid Formula: C16H14O2S MolecularWeight: 270.34616

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC=C2SC1C(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1[C@@H](C2=CC=CC=C2S[C@H]1C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C16H14O2S/c17-16(18)15-10-13(11-6-2-1-3-7-11)12-8-4-5-9-14(12)19-15/h1-9,13,15H,10H2,(H,17,18)/t13-,15-/m1/s1