7-[3-oxidanyl-6-oxidanylidene-2-[(E)-3-oxidanyl-5-phenyl-pent-1-enyl]cyclohexyl]hept-5-ynoic acid

Systemtic Name: 7-[3-oxidanyl-6-oxidanylidene-2-[(E)-3-oxidanyl-5-phenyl-pent-1-enyl]cyclohexyl]hept-5-ynoic acid Openeye Name: 7-[3-hydroxy-2-[(E)-3-hydroxy-5-phenyl-pent-1-enyl]-6-oxo-cyclohexyl]hept-5-ynoic acid CAS Name: 7-[3-hydroxy-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]-6-oxocyclohexyl]-5-heptynoic acid IUPAC Name: 7-[3-hydroxy-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]-6-oxocyclohexyl]hept-5-ynoic acid Traditional Name: 7-[3-hydroxy-2-[(E)-3-hydroxy-5-phenyl-pent-1-enyl]-6-keto-cyclohexyl]hept-5-ynoic acid Formula: C24H30O5 MolecularWeight: 398.492

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(C(C1O)C=CC(CCC2=CC=CC=C2)O)CC#CCCCC(=O)O

Isomeric SMILES

C1CC(=O)C(C(C1O)/C=C/C(CCC2=CC=CC=C2)O)CC#CCCCC(=O)O

InChI

InChI=1S/C24H30O5/c25-19(13-12-18-8-4-3-5-9-18)14-15-21-20(22(26)16-17-23(21)27)10-6-1-2-7-11-24(28)29/h3-5,8-9,14-15,19-21,23,25,27H,2,7,10-13,16-17H2,(H,28,29)/b15-14+