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

Systemtic Name: 5-heptylsulfanyl-2,3-dimethoxy-cyclohexa-2,5-diene-1,4-dione Openeye Name: 5-heptylsulfanyl-2,3-dimethoxy-1,4-benzoquinone CAS Name: 5-(heptylthio)-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione IUPAC Name: 5-heptylsulfanyl-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione Traditional Name: 5-(heptylthio)-2,3-dimethoxy-p-benzoquinone Formula: C15H22O4S MolecularWeight: 298.39778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=CC(=O)C(=C(C1=O)OC)OC

Isomeric SMILES

CCCCCCCSC1=CC(=O)C(=C(C1=O)OC)OC

InChI

InChI=1S/C15H22O4S/c1-4-5-6-7-8-9-20-12-10-11(16)14(18-2)15(19-3)13(12)17/h10H,4-9H2,1-3H3