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

Systemtic Name: 7-[(1R,2Z,5R)-2-(3-butyl-4,4-dimethyl-3-oxidanyl-octylidene)-5-oxidanyl-cyclopentyl]heptanoic acid Openeye Name: 7-[(1R,2Z,5R)-2-(3-butyl-3-hydroxy-4,4-dimethyl-octylidene)-5-hydroxy-cyclopentyl]heptanoic acid CAS Name: 7-[(1R,2Z,5R)-2-(3-butyl-3-hydroxy-4,4-dimethyloctylidene)-5-hydroxycyclopentyl]heptanoic acid IUPAC Name: 7-[(1R,2Z,5R)-2-(3-butyl-3-hydroxy-4,4-dimethyloctylidene)-5-hydroxycyclopentyl]heptanoic acid Traditional Name: 7-[(1R,2Z,5R)-2-(3-butyl-3-hydroxy-4,4-dimethyl-octylidene)-5-hydroxy-cyclopentyl]enanthic acid Formula: C26H48O4 MolecularWeight: 424.65692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H48O4/c1-5-7-18-25(3,4)26(30,19-8-6-2)20-17-21-15-16-23(27)22(21)13-11-9-10-12-14-24(28)29/h17,22-23,27,30H,5-16,18-20H2,1-4H3,(H,28,29)/b21-17-/t22-,23-,26?/m1/s1