2-ethoxy-6-hexadecylsulfanyl-3-methoxy-5-methyl-cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-ethoxy-6-hexadecylsulfanyl-3-methoxy-5-methyl-cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-ethoxy-6-hexadecylsulfanyl-3-methoxy-5-methyl-1,4-benzoquinone CAS Name: 2-ethoxy-6-(hexadecylthio)-3-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-ethoxy-6-hexadecylsulfanyl-3-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione Traditional Name: 2-(cetylthio)-6-ethoxy-5-methoxy-3-methyl-p-benzoquinone Formula: C26H44O4S MolecularWeight: 452.69016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=C(C(=O)C(=C(C1=O)OCC)OC)C

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=C(C(=O)C(=C(C1=O)OCC)OC)C

InChI

InChI=1S/C26H44O4S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31-26-21(3)22(27)24(29-4)25(23(26)28)30-6-2/h5-20H2,1-4H3