1a-[(E)-3,7-dimethyloct-2-enyl]-7a-methyl-naphtho[2,3-b]oxirene-2,7-dione

Systemtic Name: 1a-[(E)-3,7-dimethyloct-2-enyl]-7a-methyl-naphtho[2,3-b]oxirene-2,7-dione Openeye Name: 1a-[(E)-3,7-dimethyloct-2-enyl]-7a-methyl-naphtho[2,3-b]oxirene-2,7-dione CAS Name: 1a-[(E)-3,7-dimethyloct-2-enyl]-7a-methylnaphtho[2,3-b]oxirene-2,7-dione IUPAC Name: 1a-[(E)-3,7-dimethyloct-2-enyl]-7a-methylnaphtho[2,3-b]oxirene-2,7-dione Traditional Name: 1a-[(E)-3,7-dimethyloct-2-enyl]-7a-methyl-naphtho[2,3-b]oxirene-2,7-quinone Formula: C21H26O3 MolecularWeight: 326.42934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(=CCC12C(=O)C3=CC=CC=C3C(=O)C1(O2)C)C

Isomeric SMILES

CC(C)CCC/C(=C/CC12C(=O)C3=CC=CC=C3C(=O)C1(O2)C)/C

InChI

InChI=1S/C21H26O3/c1-14(2)8-7-9-15(3)12-13-21-19(23)17-11-6-5-10-16(17)18(22)20(21,4)24-21/h5-6,10-12,14H,7-9,13H2,1-4H3/b15-12+