(1E,5E,11E)-11-methanoyl-5-methyl-8-prop-1-en-2-yl-cyclotetradeca-1,5,11-triene-1-carboxylic acid

Systemtic Name: (1E,5E,11E)-11-methanoyl-5-methyl-8-prop-1-en-2-yl-cyclotetradeca-1,5,11-triene-1-carboxylic acid Openeye Name: (1E,5E,11E)-11-formyl-8-isopropenyl-5-methyl-cyclotetradeca-1,5,11-triene-1-carboxylic acid CAS Name: (1E,5E,11E)-11-formyl-5-methyl-8-(1-methylethenyl)-1-cyclotetradeca-1,5,11-trienecarboxylic acid IUPAC Name: (1E,5E,11E)-11-formyl-5-methyl-8-prop-1-en-2-ylcyclotetradeca-1,5,11-triene-1-carboxylic acid Traditional Name: (1E,5E,11E)-11-formyl-8-isopropenyl-5-methyl-cyclotetradeca-1,5,11-triene-1-carboxylic acid Formula: C20H28O3 MolecularWeight: 316.43452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(CCC(=CCCC(=CCC1)C(=O)O)C=O)C(=C)C

Isomeric SMILES

C/C/1=C\CC(CC/C(=C\CC/C(=C\CC1)/C(=O)O)/C=O)C(=C)C

InChI

InChI=1S/C20H28O3/c1-15(2)18-12-10-16(3)6-4-8-19(20(22)23)9-5-7-17(14-21)11-13-18/h7-8,10,14,18H,1,4-6,9,11-13H2,2-3H3,(H,22,23)/b16-10+,17-7+,19-8+