6-[(E)-6-(3,3-dimethyloxiran-2-yl)-4-methyl-hex-3-enyl]naphthalene-1,4-dione

Systemtic Name: 6-[(E)-6-(3,3-dimethyloxiran-2-yl)-4-methyl-hex-3-enyl]naphthalene-1,4-dione Openeye Name: 6-[(E)-6-(3,3-dimethyloxiran-2-yl)-4-methyl-hex-3-enyl]naphthalene-1,4-dione CAS Name: 6-[(E)-6-(3,3-dimethyl-2-oxiranyl)-4-methylhex-3-enyl]naphthalene-1,4-dione IUPAC Name: 6-[(E)-6-(3,3-dimethyloxiran-2-yl)-4-methylhex-3-enyl]naphthalene-1,4-dione Traditional Name: 6-[(E)-6-(3,3-dimethyloxiran-2-yl)-4-methyl-hex-3-enyl]-1,4-naphthoquinone Formula: C21H24O3 MolecularWeight: 324.41346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC1=CC2=C(C=C1)C(=O)C=CC2=O)CCC3C(O3)(C)C

Isomeric SMILES

C/C(=C\CCC1=CC2=C(C=C1)C(=O)C=CC2=O)/CCC3C(O3)(C)C

InChI

InChI=1S/C21H24O3/c1-14(7-12-20-21(2,3)24-20)5-4-6-15-8-9-16-17(13-15)19(23)11-10-18(16)22/h5,8-11,13,20H,4,6-7,12H2,1-3H3/b14-5+