2-[(1R,2S)-2-[(E)-3-methyl-3-oxidanyl-oct-1-enyl]-5-oxidanylidene-cycloheptyl]heptanoic acid

Systemtic Name: 2-[(1R,2S)-2-[(E)-3-methyl-3-oxidanyl-oct-1-enyl]-5-oxidanylidene-cycloheptyl]heptanoic acid Openeye Name: 2-[(1R,2S)-2-[(E)-3-hydroxy-3-methyl-oct-1-enyl]-5-oxo-cycloheptyl]heptanoic acid CAS Name: 2-[(1R,2S)-2-[(E)-3-hydroxy-3-methyloct-1-enyl]-5-oxocycloheptyl]heptanoic acid IUPAC Name: 2-[(1R,2S)-2-[(E)-3-hydroxy-3-methyloct-1-enyl]-5-oxocycloheptyl]heptanoic acid Traditional Name: 2-[(1R,2S)-2-[(E)-3-hydroxy-3-methyl-oct-1-enyl]-5-keto-cycloheptyl]enanthic acid Formula: C23H40O4 MolecularWeight: 380.5613

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1CCC(=O)CCC1C=CC(C)(CCCCC)O)C(=O)O

Isomeric SMILES

CCCCCC([C@@H]1CCC(=O)CC[C@H]1/C=C/C(C)(CCCCC)O)C(=O)O

InChI

InChI=1S/C23H40O4/c1-4-6-8-10-21(22(25)26)20-14-13-19(24)12-11-18(20)15-17-23(3,27)16-9-7-5-2/h15,17-18,20-21,27H,4-14,16H2,1-3H3,(H,25,26)/b17-15+/t18-,20+,21?,23?/m0/s1