(9E,12R)-12-[(1E,3E)-4-bromanylbuta-1,3-dienyl]-10-methyl-1-oxacyclododec-9-ene-2,8-dione

Systemtic Name: (9E,12R)-12-[(1E,3E)-4-bromanylbuta-1,3-dienyl]-10-methyl-1-oxacyclododec-9-ene-2,8-dione Openeye Name: (9E,12R)-12-[(1E,3E)-4-bromobuta-1,3-dienyl]-10-methyl-1-oxacyclododec-9-ene-2,8-dione CAS Name: (9E,12R)-12-[(1E,3E)-4-bromobuta-1,3-dienyl]-10-methyl-1-oxacyclododec-9-ene-2,8-dione IUPAC Name: (9E,12R)-12-[(1E,3E)-4-bromobuta-1,3-dienyl]-10-methyl-1-oxacyclododec-9-ene-2,8-dione Traditional Name: (9E,12R)-12-[(1E,3E)-4-bromobuta-1,3-dienyl]-10-methyl-1-oxacyclododec-9-ene-2,8-quinone Formula: C16H21BrO3 MolecularWeight: 341.24014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)CCCCCC(=O)OC(C1)C=CC=CBr

Isomeric SMILES

C/C/1=C\C(=O)CCCCCC(=O)O[C@H](C1)/C=C/C=C/Br

InChI

InChI=1S/C16H21BrO3/c1-13-11-14(18)7-3-2-4-9-16(19)20-15(12-13)8-5-6-10-17/h5-6,8,10-11,15H,2-4,7,9,12H2,1H3/b8-5+,10-6+,13-11+/t15-/m0/s1