ethyl 2,2-dimethyl-3-oxidanyl-3-(1-phenylsulfanylcyclopentyl)propanoate

Systemtic Name: ethyl 2,2-dimethyl-3-oxidanyl-3-(1-phenylsulfanylcyclopentyl)propanoate Openeye Name: ethyl 3-hydroxy-2,2-dimethyl-3-(1-phenylsulfanylcyclopentyl)propanoate CAS Name: 3-hydroxy-2,2-dimethyl-3-[1-(phenylthio)cyclopentyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-hydroxy-2,2-dimethyl-3-(1-phenylsulfanylcyclopentyl)propanoate Traditional Name: 3-hydroxy-2,2-dimethyl-3-[1-(phenylthio)cyclopentyl]propionic acid ethyl ester Formula: C18H26O3S MolecularWeight: 322.46224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)C(C1(CCCC1)SC2=CC=CC=C2)O

Isomeric SMILES

CCOC(=O)C(C)(C)C(C1(CCCC1)SC2=CC=CC=C2)O

InChI

InChI=1S/C18H26O3S/c1-4-21-16(20)17(2,3)15(19)18(12-8-9-13-18)22-14-10-6-5-7-11-14/h5-7,10-11,15,19H,4,8-9,12-13H2,1-3H3