7-[2-[(E)-2-(2-methylphenyl)ethenyl]-5-oxidanylidene-cyclopentyl]heptanoic acid

Systemtic Name: 7-[2-[(E)-2-(2-methylphenyl)ethenyl]-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[2-[(E)-2-(o-tolyl)vinyl]-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[2-[(E)-2-(2-methylphenyl)ethenyl]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[2-[(E)-2-(2-methylphenyl)ethenyl]-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[2-keto-5-[(E)-2-(o-tolyl)vinyl]cyclopentyl]enanthic acid Formula: C21H28O3 MolecularWeight: 328.44522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=CC2CCC(=O)C2CCCCCCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1/C=C/C2CCC(=O)C2CCCCCCC(=O)O

InChI

InChI=1S/C21H28O3/c1-16-8-6-7-9-17(16)12-13-18-14-15-20(22)19(18)10-4-2-3-5-11-21(23)24/h6-9,12-13,18-19H,2-5,10-11,14-15H2,1H3,(H,23,24)/b13-12+