2-(3,5-ditert-butylphenyl)sulfanyl-3-methyl-pentanoic acid

Systemtic Name: 2-(3,5-ditert-butylphenyl)sulfanyl-3-methyl-pentanoic acid Openeye Name: 2-(3,5-ditert-butylphenyl)sulfanyl-3-methyl-pentanoic acid CAS Name: 2-[(3,5-ditert-butylphenyl)thio]-3-methylpentanoic acid IUPAC Name: 2-(3,5-ditert-butylphenyl)sulfanyl-3-methylpentanoic acid Traditional Name: 2-[(3,5-ditert-butylphenyl)thio]-3-methyl-valeric acid Formula: C20H32O2S MolecularWeight: 336.53188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32O2S/c1-9-13(2)17(18(21)22)23-16-11-14(19(3,4)5)10-15(12-16)20(6,7)8/h10-13,17H,9H2,1-8H3,(H,21,22)