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

Systemtic Name: 2-(3,5-ditert-butylphenyl)sulfanylpentanoic acid Openeye Name: 2-(3,5-ditert-butylphenyl)sulfanylpentanoic acid CAS Name: 2-[(3,5-ditert-butylphenyl)thio]pentanoic acid IUPAC Name: 2-(3,5-ditert-butylphenyl)sulfanylpentanoic acid Traditional Name: 2-[(3,5-ditert-butylphenyl)thio]valeric acid Formula: C19H30O2S MolecularWeight: 322.5053

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30O2S/c1-8-9-16(17(20)21)22-15-11-13(18(2,3)4)10-14(12-15)19(5,6)7/h10-12,16H,8-9H2,1-7H3,(H,20,21)