(7E)-7-[3-bromanyl-5-[(E)-3-cyclohexyl-3-oxidanyl-prop-1-enyl]-2-oxidanylidene-cyclopent-3-en-1-ylidene]hept-5-ynoic acid

Systemtic Name: (7E)-7-[3-bromanyl-5-[(E)-3-cyclohexyl-3-oxidanyl-prop-1-enyl]-2-oxidanylidene-cyclopent-3-en-1-ylidene]hept-5-ynoic acid Openeye Name: (7E)-7-[3-bromo-5-[(E)-3-cyclohexyl-3-hydroxy-prop-1-enyl]-2-oxo-cyclopent-3-en-1-ylidene]hept-5-ynoic acid CAS Name: (7E)-7-[3-bromo-5-[(E)-3-cyclohexyl-3-hydroxyprop-1-enyl]-2-oxo-1-cyclopent-3-enylidene]-5-heptynoic acid IUPAC Name: (7E)-7-[3-bromo-5-[(E)-3-cyclohexyl-3-hydroxyprop-1-enyl]-2-oxocyclopent-3-en-1-ylidene]hept-5-ynoic acid Traditional Name: (7E)-7-[3-bromo-5-[(E)-3-cyclohexyl-3-hydroxy-prop-1-enyl]-2-keto-cyclopent-3-en-1-ylidene]hept-5-ynoic acid Formula: C21H25BrO4 MolecularWeight: 421.3248

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C=CC2C=C(C(=O)C2=CC#CCCCC(=O)O)Br)O

Isomeric SMILES

C1CCC(CC1)C(/C=C/C\2C=C(C(=O)/C2=C/C#CCCCC(=O)O)Br)O

InChI

InChI=1S/C21H25BrO4/c22-18-14-16(12-13-19(23)15-8-4-3-5-9-15)17(21(18)26)10-6-1-2-7-11-20(24)25/h10,12-16,19,23H,2-5,7-9,11H2,(H,24,25)/b13-12+,17-10+