2-[(1S,3R)-3-(3,5-ditert-butylphenyl)sulfanylcyclopentyl]oxyethanoic acid

Systemtic Name: 2-[(1S,3R)-3-(3,5-ditert-butylphenyl)sulfanylcyclopentyl]oxyethanoic acid Openeye Name: 2-[(1S,3R)-3-(3,5-ditert-butylphenyl)sulfanylcyclopentoxy]acetic acid CAS Name: 2-[(1S,3R)-3-[(3,5-ditert-butylphenyl)thio]cyclopentyl]oxyacetic acid IUPAC Name: 2-[(1S,3R)-3-(3,5-ditert-butylphenyl)sulfanylcyclopentyl]oxyacetic acid Traditional Name: 2-[(1S,3R)-3-[(3,5-ditert-butylphenyl)thio]cyclopentoxy]acetic acid Formula: C21H32O3S MolecularWeight: 364.54198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)SC2CCC(C2)OCC(=O)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)S[C@@H]2CC[C@@H](C2)OCC(=O)O)C(C)(C)C

InChI

InChI=1S/C21H32O3S/c1-20(2,3)14-9-15(21(4,5)6)11-18(10-14)25-17-8-7-16(12-17)24-13-19(22)23/h9-11,16-17H,7-8,12-13H2,1-6H3,(H,22,23)/t16-,17+/m0/s1