7-[(1R,2Z,5R)-2-(3-butyl-4-methyl-3-oxidanyl-octylidene)-5-oxidanyl-cyclopentyl]heptanoic acid

Systemtic Name: 7-[(1R,2Z,5R)-2-(3-butyl-4-methyl-3-oxidanyl-octylidene)-5-oxidanyl-cyclopentyl]heptanoic acid Openeye Name: 7-[(1R,2Z,5R)-2-(3-butyl-3-hydroxy-4-methyl-octylidene)-5-hydroxy-cyclopentyl]heptanoic acid CAS Name: 7-[(1R,2Z,5R)-2-(3-butyl-3-hydroxy-4-methyloctylidene)-5-hydroxycyclopentyl]heptanoic acid IUPAC Name: 7-[(1R,2Z,5R)-2-(3-butyl-3-hydroxy-4-methyloctylidene)-5-hydroxycyclopentyl]heptanoic acid Traditional Name: 7-[(1R,2Z,5R)-2-(3-butyl-3-hydroxy-4-methyl-octylidene)-5-hydroxy-cyclopentyl]enanthic acid Formula: C25H46O4 MolecularWeight: 410.63034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C(CCCC)(CC=C1CCC(C1CCCCCCC(=O)O)O)O

Isomeric SMILES

CCCCC(C)C(CCCC)(C/C=C\1/CC[C@H]([C@@H]1CCCCCCC(=O)O)O)O

InChI

InChI=1S/C25H46O4/c1-4-6-12-20(3)25(29,18-7-5-2)19-17-21-15-16-23(26)22(21)13-10-8-9-11-14-24(27)28/h17,20,22-23,26,29H,4-16,18-19H2,1-3H3,(H,27,28)/b21-17-/t20?,22-,23-,25?/m1/s1