(E)-docos-13-enoic acid; 2-methylidene-5-propan-2-yl-bicyclo[3.1.0]hexane

Systemtic Name: (E)-docos-13-enoic acid; 2-methylidene-5-propan-2-yl-bicyclo[3.1.0]hexane Openeye Name: (E)-docos-13-enoic acid; 5-isopropyl-2-methylene-bicyclo[3.1.0]hexane CAS Name: (E)-13-docosenoic acid; 2-methylene-5-propan-2-ylbicyclo[3.1.0]hexane IUPAC Name: (E)-docos-13-enoic acid; 2-methylidene-5-propan-2-ylbicyclo[3.1.0]hexane Traditional Name: (E)-docos-13-enoic acid; 5-isopropyl-2-methylene-bicyclo[3.1.0]hexane Formula: C32H58O2 MolecularWeight: 474.80172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCC(=O)O.CC(C)C12CCC(=C)C1C2

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCCCC(=O)O.CC(C)C12CCC(=C)C1C2

InChI

InChI=1S/C22H42O2.C10H16/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;1-7(2)10-5-4-8(3)9(10)6-10/h9-10H,2-8,11-21H2,1H3,(H,23,24);7,9H,3-6H2,1-2H3/b10-9+;