2-[(3,5-dimethylphenyl)methyl]-2-sulfanyl-icosaneperoxoic acid

Systemtic Name: 2-[(3,5-dimethylphenyl)methyl]-2-sulfanyl-icosaneperoxoic acid Openeye Name: 2-[(3,5-dimethylphenyl)methyl]-2-sulfanyl-icosaneperoxoic acid CAS Name: 2-[(3,5-dimethylphenyl)methyl]-2-mercaptoeicosaneperoxoic acid IUPAC Name: 2-[(3,5-dimethylphenyl)methyl]-2-sulfanylicosaneperoxoic acid Traditional Name: 2-(3,5-dimethylbenzyl)-2-mercapto-peroxyarachidic acid Formula: C29H50O3S MolecularWeight: 478.7705

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CC1=CC(=CC(=C1)C)C)(C(=O)OO)S

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CC1=CC(=CC(=C1)C)C)(C(=O)OO)S

InChI

InChI=1S/C29H50O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29(33,28(30)32-31)24-27-22-25(2)21-26(3)23-27/h21-23,31,33H,4-20,24H2,1-3H3