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

Systemtic Name: 2-[(E)-4,8-dimethyl-1-oxidanyl-6-oxidanylidene-non-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione Openeye Name: 5,8-dihydroxy-2-[(E)-1-hydroxy-4,8-dimethyl-6-oxo-non-3-enyl]naphthalene-1,4-dione CAS Name: 5,8-dihydroxy-2-[(E)-1-hydroxy-4,8-dimethyl-6-oxonon-3-enyl]naphthalene-1,4-dione IUPAC Name: 5,8-dihydroxy-2-[(E)-1-hydroxy-4,8-dimethyl-6-oxonon-3-enyl]naphthalene-1,4-dione Traditional Name: 5,8-dihydroxy-2-[(E)-1-hydroxy-6-keto-4,8-dimethyl-non-3-enyl]-1,4-naphthoquinone Formula: C21H24O6 MolecularWeight: 372.41166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24O6/c1-11(2)8-13(22)9-12(3)4-5-15(23)14-10-18(26)19-16(24)6-7-17(25)20(19)21(14)27/h4,6-7,10-11,15,23-25H,5,8-9H2,1-3H3/b12-4+