2-[1-methyl-5-oxidanyl-6-(3-oxidanyloct-1-enyl)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoate

Systemtic Name: 2-[1-methyl-5-oxidanyl-6-(3-oxidanyloct-1-enyl)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoate Openeye Name: 2-[5-hydroxy-6-(3-hydroxyoct-1-enyl)-1-methyl-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoate CAS Name: 2-[5-hydroxy-6-(3-hydroxyoct-1-enyl)-1-methyl-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoate IUPAC Name: 2-[5-hydroxy-6-(3-hydroxyoct-1-enyl)-1-methyl-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoate Traditional Name: 2-[5-hydroxy-6-(3-hydroxyoct-1-enyl)-1-methyl-1,3a,4,5,6,6a-hexahydropentalen-2-yl]valerate Formula: C22H35O4- MolecularWeight: 363.5109

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1C(CC2C1C(C(=C2)C(CCC)C(=O)[O-])C)O)O

Isomeric SMILES

CCCCCC(C=CC1C(CC2C1C(C(=C2)C(CCC)C(=O)[O-])C)O)O

InChI

InChI=1S/C22H36O4/c1-4-6-7-9-16(23)10-11-18-20(24)13-15-12-19(14(3)21(15)18)17(8-5-2)22(25)26/h10-12,14-18,20-21,23-24H,4-9,13H2,1-3H3,(H,25,26)/p-1