3-heptyl-2,5-bis(oxidanyl)cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 3-heptyl-2,5-bis(oxidanyl)cyclohexa-2,5-diene-1,4-dione Openeye Name: 3-heptyl-2,5-dihydroxy-1,4-benzoquinone CAS Name: 3-heptyl-2,5-dihydroxycyclohexa-2,5-diene-1,4-dione IUPAC Name: 3-heptyl-2,5-dihydroxycyclohexa-2,5-diene-1,4-dione Traditional Name: 3-heptyl-2,5-dihydroxy-p-benzoquinone Formula: C13H18O4 MolecularWeight: 238.27962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C(=O)C=C(C1=O)O)O

Isomeric SMILES

CCCCCCCC1=C(C(=O)C=C(C1=O)O)O

InChI

InChI=1S/C13H18O4/c1-2-3-4-5-6-7-9-12(16)10(14)8-11(15)13(9)17/h8,14,17H,2-7H2,1H3