2-[1-benzothiophen-3-yl(oxidanyl)methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[1-benzothiophen-3-yl(oxidanyl)methyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[benzothiophen-3-yl(hydroxy)methyl]cyclohexanecarboxylic acid CAS Name: 2-[1-benzothiophen-3-yl(hydroxy)methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[1-benzothiophen-3-yl(hydroxy)methyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[benzothiophen-3-yl(hydroxy)methyl]cyclohexanecarboxylic acid Formula: C16H18O3S MolecularWeight: 290.37732

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(C2=CSC3=CC=CC=C32)O)C(=O)O

Isomeric SMILES

C1CCC(C(C1)C(C2=CSC3=CC=CC=C32)O)C(=O)O

InChI

InChI=1S/C16H18O3S/c17-15(11-6-1-2-7-12(11)16(18)19)13-9-20-14-8-4-3-5-10(13)14/h3-5,8-9,11-12,15,17H,1-2,6-7H2,(H,18,19)