(E)-7-[3-oxidanyl-6-oxidanylidene-2-[(E)-3-oxidanyl-4-phenyl-but-1-enyl]cyclohexyl]hept-5-enoic acid

Systemtic Name: (E)-7-[3-oxidanyl-6-oxidanylidene-2-[(E)-3-oxidanyl-4-phenyl-but-1-enyl]cyclohexyl]hept-5-enoic acid Openeye Name: (E)-7-[3-hydroxy-2-[(E)-3-hydroxy-4-phenyl-but-1-enyl]-6-oxo-cyclohexyl]hept-5-enoic acid CAS Name: (E)-7-[3-hydroxy-2-[(E)-3-hydroxy-4-phenylbut-1-enyl]-6-oxocyclohexyl]-5-heptenoic acid IUPAC Name: (E)-7-[3-hydroxy-2-[(E)-3-hydroxy-4-phenylbut-1-enyl]-6-oxocyclohexyl]hept-5-enoic acid Traditional Name: (E)-7-[3-hydroxy-2-[(E)-3-hydroxy-4-phenyl-but-1-enyl]-6-keto-cyclohexyl]hept-5-enoic acid Formula: C23H30O5 MolecularWeight: 386.4813

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(C(C1O)C=CC(CC2=CC=CC=C2)O)CC=CCCCC(=O)O

Isomeric SMILES

C1CC(=O)C(C(C1O)/C=C/C(CC2=CC=CC=C2)O)C/C=C/CCCC(=O)O

InChI

InChI=1S/C23H30O5/c24-18(16-17-8-4-3-5-9-17)12-13-20-19(21(25)14-15-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,12-13,18-20,22,24,26H,2,7,10-11,14-16H2,(H,27,28)/b6-1+,13-12+