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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26O5/c1-4-5-6-12(2)13(3)7-8-15(22)14-11-18(25)19-16(23)9-10-17(24)20(19)21(14)26/h7,9-12,15,22-24H,4-6,8H2,1-3H3/b13-7+