3-dodecylsulfanyl-5-methoxy-2-methyl-cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 3-dodecylsulfanyl-5-methoxy-2-methyl-cyclohexa-2,5-diene-1,4-dione Openeye Name: 3-dodecylsulfanyl-5-methoxy-2-methyl-1,4-benzoquinone CAS Name: 3-(dodecylthio)-5-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione IUPAC Name: 3-dodecylsulfanyl-5-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione Traditional Name: 3-(laurylthio)-5-methoxy-2-methyl-p-benzoquinone Formula: C20H32O3S MolecularWeight: 352.53128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=C(C(=O)C=C(C1=O)OC)C

Isomeric SMILES

CCCCCCCCCCCCSC1=C(C(=O)C=C(C1=O)OC)C

InChI

InChI=1S/C20H32O3S/c1-4-5-6-7-8-9-10-11-12-13-14-24-20-16(2)17(21)15-18(23-3)19(20)22/h15H,4-14H2,1-3H3