2-[(E)-4,6-dimethyl-1-oxidanyl-non-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione

Systemtic Name: 2-[(E)-4,6-dimethyl-1-oxidanyl-non-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione Openeye Name: 5,8-dihydroxy-2-[(E)-1-hydroxy-4,6-dimethyl-non-3-enyl]naphthalene-1,4-dione CAS Name: 5,8-dihydroxy-2-[(E)-1-hydroxy-4,6-dimethylnon-3-enyl]naphthalene-1,4-dione IUPAC Name: 5,8-dihydroxy-2-[(E)-1-hydroxy-4,6-dimethylnon-3-enyl]naphthalene-1,4-dione Traditional Name: 5,8-dihydroxy-2-[(E)-1-hydroxy-4,6-dimethyl-non-3-enyl]-1,4-naphthoquinone Formula: C21H26O5 MolecularWeight: 358.42814

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C

Isomeric SMILES

CCCC(C)C/C(=C/CC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)/C

InChI

InChI=1S/C21H26O5/c1-4-5-12(2)10-13(3)6-7-15(22)14-11-18(25)19-16(23)8-9-17(24)20(19)21(14)26/h6,8-9,11-12,15,22-24H,4-5,7,10H2,1-3H3/b13-6+