2-[2-(4-tert-butylphenyl)sulfanylcycloheptyl]oxyethanoic acid

Systemtic Name: 2-[2-(4-tert-butylphenyl)sulfanylcycloheptyl]oxyethanoic acid Openeye Name: 2-[2-(4-tert-butylphenyl)sulfanylcycloheptoxy]acetic acid CAS Name: 2-[2-[(4-tert-butylphenyl)thio]cycloheptyl]oxyacetic acid IUPAC Name: 2-[2-(4-tert-butylphenyl)sulfanylcycloheptyl]oxyacetic acid Traditional Name: 2-[2-[(4-tert-butylphenyl)thio]cycloheptoxy]acetic acid Formula: C19H28O3S MolecularWeight: 336.48882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SC2CCCCCC2OCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SC2CCCCCC2OCC(=O)O

InChI

InChI=1S/C19H28O3S/c1-19(2,3)14-9-11-15(12-10-14)23-17-8-6-4-5-7-16(17)22-13-18(20)21/h9-12,16-17H,4-8,13H2,1-3H3,(H,20,21)