(7E)-7-[3-bromanyl-5-[(E)-3-oxidanylbut-1-enyl]-2-oxidanylidene-cyclopent-3-en-1-ylidene]heptanoic acid

Systemtic Name: (7E)-7-[3-bromanyl-5-[(E)-3-oxidanylbut-1-enyl]-2-oxidanylidene-cyclopent-3-en-1-ylidene]heptanoic acid Openeye Name: (7E)-7-[3-bromo-5-[(E)-3-hydroxybut-1-enyl]-2-oxo-cyclopent-3-en-1-ylidene]heptanoic acid CAS Name: (7E)-7-[3-bromo-5-[(E)-3-hydroxybut-1-enyl]-2-oxo-1-cyclopent-3-enylidene]heptanoic acid IUPAC Name: (7E)-7-[3-bromo-5-[(E)-3-hydroxybut-1-enyl]-2-oxocyclopent-3-en-1-ylidene]heptanoic acid Traditional Name: (7E)-7-[3-bromo-5-[(E)-3-hydroxybut-1-enyl]-2-keto-cyclopent-3-en-1-ylidene]enanthic acid Formula: C16H21BrO4 MolecularWeight: 357.23954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C=CC1C=C(C(=O)C1=CCCCCCC(=O)O)Br)O

Isomeric SMILES

CC(/C=C/C\1C=C(C(=O)/C1=C/CCCCCC(=O)O)Br)O

InChI

InChI=1S/C16H21BrO4/c1-11(18)8-9-12-10-14(17)16(21)13(12)6-4-2-3-5-7-15(19)20/h6,8-12,18H,2-5,7H2,1H3,(H,19,20)/b9-8+,13-6+