7-[(1R,2R,5Z)-2-oxidanyl-5-(3-oxidanyl-3-pentan-2-yl-octylidene)cyclopentyl]heptanoic acid

Systemtic Name: 7-[(1R,2R,5Z)-2-oxidanyl-5-(3-oxidanyl-3-pentan-2-yl-octylidene)cyclopentyl]heptanoic acid Openeye Name: 7-[(1R,2R,5Z)-2-hydroxy-5-[3-hydroxy-3-(1-methylbutyl)octylidene]cyclopentyl]heptanoic acid CAS Name: 7-[(1R,2R,5Z)-2-hydroxy-5-(3-hydroxy-3-pentan-2-yloctylidene)cyclopentyl]heptanoic acid IUPAC Name: 7-[(1R,2R,5Z)-2-hydroxy-5-(3-hydroxy-3-pentan-2-yloctylidene)cyclopentyl]heptanoic acid Traditional Name: 7-[(1R,2R,5Z)-2-hydroxy-5-[3-hydroxy-3-(1-methylbutyl)octylidene]cyclopentyl]enanthic acid Formula: C25H46O4 MolecularWeight: 410.63034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC=C1CCC(C1CCCCCCC(=O)O)O)(C(C)CCC)O

Isomeric SMILES

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

InChI

InChI=1S/C25H46O4/c1-4-6-11-18-25(29,20(3)12-5-2)19-17-21-15-16-23(26)22(21)13-9-7-8-10-14-24(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