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

Systemtic Name: 5-butyl-2-[(E)-10-oxidanyl-10-oxidanylidene-dec-1-enyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 5-butyl-2-[(E)-10-hydroxy-10-oxo-dec-1-enyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 5-butyl-2-[(E)-10-hydroxy-10-oxodec-1-enyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 5-butyl-2-[(E)-10-hydroxy-10-oxodec-1-enyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 5-butyl-2-[(E)-10-hydroxy-10-keto-dec-1-enyl]cyclohex-3-ene-1-carboxylic acid Formula: C21H34O4 MolecularWeight: 350.49226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC(C(C=C1)C=CCCCCCCCC(=O)O)C(=O)O

Isomeric SMILES

CCCCC1CC(C(C=C1)/C=C/CCCCCCCC(=O)O)C(=O)O

InChI

InChI=1S/C21H34O4/c1-2-3-11-17-14-15-18(19(16-17)21(24)25)12-9-7-5-4-6-8-10-13-20(22)23/h9,12,14-15,17-19H,2-8,10-11,13,16H2,1H3,(H,22,23)(H,24,25)/b12-9+