2-butyl-5-[(E)-10-oxidanyl-10-oxidanylidene-dec-1-enyl]cyclohex-3-ene-1-carboxylic acid; 5-butyl-2-[(E)-10-oxidanyl-10-oxidanylidene-dec-1-enyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 2-butyl-5-[(E)-10-oxidanyl-10-oxidanylidene-dec-1-enyl]cyclohex-3-ene-1-carboxylic acid; 5-butyl-2-[(E)-10-oxidanyl-10-oxidanylidene-dec-1-enyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 2-butyl-5-[(E)-10-hydroxy-10-oxo-dec-1-enyl]cyclohex-3-ene-1-carboxylic acid; 5-butyl-2-[(E)-10-hydroxy-10-oxo-dec-1-enyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 2-butyl-5-[(E)-10-hydroxy-10-oxodec-1-enyl]-1-cyclohex-3-enecarboxylic acid; 5-butyl-2-[(E)-10-hydroxy-10-oxodec-1-enyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 2-butyl-5-[(E)-10-hydroxy-10-oxodec-1-enyl]cyclohex-3-ene-1-carboxylic acid; 5-butyl-2-[(E)-10-hydroxy-10-oxodec-1-enyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 2-butyl-5-[(E)-10-hydroxy-10-keto-dec-1-enyl]cyclohex-3-ene-1-carboxylic acid; 5-butyl-2-[(E)-10-hydroxy-10-keto-dec-1-enyl]cyclohex-3-ene-1-carboxylic acid Formula: C42H68O8 MolecularWeight: 700.98452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC(C(C=C1)C=CCCCCCCCC(=O)O)C(=O)O.CCCCC1C=CC(CC1C(=O)O)C=CCCCCCCCC(=O)O

Isomeric SMILES

CCCCC1CC(C(C=C1)/C=C/CCCCCCCC(=O)O)C(=O)O.CCCCC1C=CC(CC1C(=O)O)/C=C/CCCCCCCC(=O)O

InChI

InChI=1S/2C21H34O4/c1-2-3-12-18-15-14-17(16-19(18)21(24)25)11-9-7-5-4-6-8-10-13-20(22)23;1-2-3-11-17-14-15-18(19(16-17)21(24)25)12-9-7-5-4-6-8-10-13-20(22)23/h9,11,14-15,17-19H,2-8,10,12-13,16H2,1H3,(H,22,23)(H,24,25);9,12,14-15,17-19H,2-8,10-11,13,16H2,1H3,(H,22,23)(H,24,25)/b11-9+;12-9+