6,7-dimethoxy-4,5-bis(oxidanyl)-3-[(E)-3-oxidanylidenehex-1-enyl]naphthalene-1,2-dione

Systemtic Name: 6,7-dimethoxy-4,5-bis(oxidanyl)-3-[(E)-3-oxidanylidenehex-1-enyl]naphthalene-1,2-dione Openeye Name: 4,5-dihydroxy-6,7-dimethoxy-3-[(E)-3-oxohex-1-enyl]naphthalene-1,2-dione CAS Name: 4,5-dihydroxy-6,7-dimethoxy-3-[(E)-3-oxohex-1-enyl]naphthalene-1,2-dione IUPAC Name: 4,5-dihydroxy-6,7-dimethoxy-3-[(E)-3-oxohex-1-enyl]naphthalene-1,2-dione Traditional Name: 4,5-dihydroxy-3-[(E)-3-ketohex-1-enyl]-6,7-dimethoxy-1,2-naphthoquinone Formula: C18H18O7 MolecularWeight: 346.33132

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C=CC1=C(C2=C(C(=C(C=C2C(=O)C1=O)OC)OC)O)O

Isomeric SMILES

CCCC(=O)/C=C/C1=C(C2=C(C(=C(C=C2C(=O)C1=O)OC)OC)O)O

InChI

InChI=1S/C18H18O7/c1-4-5-9(19)6-7-10-14(20)13-11(16(22)15(10)21)8-12(24-2)18(25-3)17(13)23/h6-8,20,23H,4-5H2,1-3H3/b7-6+