1-[(4-methanoylphenyl)methylsulfanyl]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[(4-methanoylphenyl)methylsulfanyl]cyclohexane-1-carboxylic acid Openeye Name: 1-[(4-formylphenyl)methylsulfanyl]cyclohexanecarboxylic acid CAS Name: 1-[(4-formylphenyl)methylthio]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[(4-formylphenyl)methylsulfanyl]cyclohexane-1-carboxylic acid Traditional Name: 1-[(4-formylbenzyl)thio]cyclohexanecarboxylic acid Formula: C15H18O3S MolecularWeight: 278.36662

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)O)SCC2=CC=C(C=C2)C=O

Isomeric SMILES

C1CCC(CC1)(C(=O)O)SCC2=CC=C(C=C2)C=O

InChI

InChI=1S/C15H18O3S/c16-10-12-4-6-13(7-5-12)11-19-15(14(17)18)8-2-1-3-9-15/h4-7,10H,1-3,8-9,11H2,(H,17,18)