(2S,4aR)-8-bromanyl-4a-[(Z)-heptadec-10-enyl]-2-methyl-1,4-benzodioxine-3,7-dione

Systemtic Name: (2S,4aR)-8-bromanyl-4a-[(Z)-heptadec-10-enyl]-2-methyl-1,4-benzodioxine-3,7-dione Openeye Name: (2S,4aR)-8-bromo-4a-[(Z)-heptadec-10-enyl]-2-methyl-1,4-benzodioxine-3,7-dione CAS Name: (2S,4aR)-8-bromo-4a-[(Z)-heptadec-10-enyl]-2-methyl-1,4-benzodioxin-3,7-dione IUPAC Name: (2S,4aR)-8-bromo-4a-[(Z)-heptadec-10-enyl]-2-methyl-1,4-benzodioxine-3,7-dione Traditional Name: (2S,4aR)-8-bromo-4a-[(Z)-heptadec-10-enyl]-2-methyl-1,4-benzodioxin-3,7-quinone Formula: C26H39BrO4 MolecularWeight: 495.48946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CCCCCCCCCCC12C=CC(=O)C(=C1OC(C(=O)O2)C)Br

Isomeric SMILES

CCCCCC/C=C\CCCCCCCCC[C@@]12C=CC(=O)C(=C1O[C@H](C(=O)O2)C)Br

InChI

InChI=1S/C26H39BrO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-26-20-18-22(28)23(27)24(26)30-21(2)25(29)31-26/h8-9,18,20-21H,3-7,10-17,19H2,1-2H3/b9-8-/t21-,26+/m0/s1