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

Systemtic Name: 2,3-dimethyl-5-octadecylsulfanyl-cyclohexa-2,5-diene-1,4-dione Openeye Name: 2,3-dimethyl-5-octadecylsulfanyl-1,4-benzoquinone CAS Name: 2,3-dimethyl-5-(octadecylthio)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2,3-dimethyl-5-octadecylsulfanylcyclohexa-2,5-diene-1,4-dione Traditional Name: 2,3-dimethyl-5-(stearylthio)-p-benzoquinone Formula: C26H44O2S MolecularWeight: 420.69136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=CC(=O)C(=C(C1=O)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=CC(=O)C(=C(C1=O)C)C

InChI

InChI=1S/C26H44O2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29-25-21-24(27)22(2)23(3)26(25)28/h21H,4-20H2,1-3H3