2-(3,6-dimethyl-5-sulfanyl-hexadecan-4-yl)cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-(3,6-dimethyl-5-sulfanyl-hexadecan-4-yl)cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-(3-methyl-1-sec-butyl-2-sulfanyl-tridecyl)-1,4-benzoquinone CAS Name: 2-(5-mercapto-3,6-dimethylhexadecan-4-yl)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-(3,6-dimethyl-5-sulfanylhexadecan-4-yl)cyclohexa-2,5-diene-1,4-dione Traditional Name: 2-(2-mercapto-3-methyl-1-sec-butyl-tridecyl)-p-benzoquinone Formula: C24H40O2S MolecularWeight: 392.6382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C)C(C(C1=CC(=O)C=CC1=O)C(C)CC)S

Isomeric SMILES

CCCCCCCCCCC(C)C(C(C1=CC(=O)C=CC1=O)C(C)CC)S

InChI

InChI=1S/C24H40O2S/c1-5-7-8-9-10-11-12-13-14-19(4)24(27)23(18(3)6-2)21-17-20(25)15-16-22(21)26/h15-19,23-24,27H,5-14H2,1-4H3