2-(3,5-ditert-butylphenyl)sulfanylhexanoic acid

Systemtic Name: 2-(3,5-ditert-butylphenyl)sulfanylhexanoic acid Openeye Name: 2-(3,5-ditert-butylphenyl)sulfanylhexanoic acid CAS Name: 2-[(3,5-ditert-butylphenyl)thio]hexanoic acid IUPAC Name: 2-(3,5-ditert-butylphenyl)sulfanylhexanoic acid Traditional Name: 2-[(3,5-ditert-butylphenyl)thio]hexanoic acid Formula: C20H32O2S MolecularWeight: 336.53188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)SC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CCCCC(C(=O)O)SC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C20H32O2S/c1-8-9-10-17(18(21)22)23-16-12-14(19(2,3)4)11-15(13-16)20(5,6)7/h11-13,17H,8-10H2,1-7H3,(H,21,22)