(1R,2S)-2-[(2R)-butan-2-yl]-1-methylsulfanyl-2H-naphthalene-1-carboxylic acid

Systemtic Name: (1R,2S)-2-[(2R)-butan-2-yl]-1-methylsulfanyl-2H-naphthalene-1-carboxylic acid Openeye Name: (1R,2S)-2-[(1R)-1-methylpropyl]-1-methylsulfanyl-2H-naphthalene-1-carboxylic acid CAS Name: (1R,2S)-2-[(2R)-butan-2-yl]-1-(methylthio)-2H-naphthalene-1-carboxylic acid IUPAC Name: (1R,2S)-2-[(2R)-butan-2-yl]-1-methylsulfanyl-2H-naphthalene-1-carboxylic acid Traditional Name: (1R,2S)-2-[(1R)-1-methylpropyl]-1-(methylthio)-2H-naphthalene-1-carboxylic acid Formula: C16H20O2S MolecularWeight: 276.3938

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C=CC2=CC=CC=C2C1(C(=O)O)SC

Isomeric SMILES

CC[C@@H](C)[C@H]1C=CC2=CC=CC=C2[C@]1(C(=O)O)SC

InChI

InChI=1S/C16H20O2S/c1-4-11(2)13-10-9-12-7-5-6-8-14(12)16(13,19-3)15(17)18/h5-11,13H,4H2,1-3H3,(H,17,18)/t11-,13-,16-/m1/s1