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

Systemtic Name: 5-hexadecylsulfanyl-2,3-dimethoxy-cyclohexa-2,5-diene-1,4-dione Openeye Name: 5-hexadecylsulfanyl-2,3-dimethoxy-1,4-benzoquinone CAS Name: 5-(hexadecylthio)-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione IUPAC Name: 5-hexadecylsulfanyl-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione Traditional Name: 5-(cetylthio)-2,3-dimethoxy-p-benzoquinone Formula: C24H40O4S MolecularWeight: 424.637

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H40O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-21-19-20(25)23(27-2)24(28-3)22(21)26/h19H,4-18H2,1-3H3