3-hexadecylsulfanyl-2,5-dimethyl-cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 3-hexadecylsulfanyl-2,5-dimethyl-cyclohexa-2,5-diene-1,4-dione Openeye Name: 3-hexadecylsulfanyl-2,5-dimethyl-1,4-benzoquinone CAS Name: 3-(hexadecylthio)-2,5-dimethylcyclohexa-2,5-diene-1,4-dione IUPAC Name: 3-hexadecylsulfanyl-2,5-dimethylcyclohexa-2,5-diene-1,4-dione Traditional Name: 3-(cetylthio)-2,5-dimethyl-p-benzoquinone Formula: C24H40O2S MolecularWeight: 392.6382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=C(C(=O)C=C(C1=O)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=C(C(=O)C=C(C1=O)C)C

InChI

InChI=1S/C24H40O2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-24-21(3)22(25)19-20(2)23(24)26/h19H,4-18H2,1-3H3