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

Systemtic Name: 2-(3,5-ditert-butylphenyl)sulfanylheptanoic acid Openeye Name: 2-(3,5-ditert-butylphenyl)sulfanylheptanoic acid CAS Name: 2-[(3,5-ditert-butylphenyl)thio]heptanoic acid IUPAC Name: 2-(3,5-ditert-butylphenyl)sulfanylheptanoic acid Traditional Name: 2-[(3,5-ditert-butylphenyl)thio]enanthic acid Formula: C21H34O2S MolecularWeight: 350.55846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34O2S/c1-8-9-10-11-18(19(22)23)24-17-13-15(20(2,3)4)12-16(14-17)21(5,6)7/h12-14,18H,8-11H2,1-7H3,(H,22,23)