2-(2-butyl-6-oxidanylidene-2-phenyl-oxan-4-yl)ethanoic acid

Systemtic Name: 2-(2-butyl-6-oxidanylidene-2-phenyl-oxan-4-yl)ethanoic acid Openeye Name: 2-(2-butyl-6-oxo-2-phenyl-tetrahydropyran-4-yl)acetic acid CAS Name: 2-(2-butyl-6-oxo-2-phenyl-4-oxanyl)acetic acid IUPAC Name: 2-(2-butyl-6-oxo-2-phenyloxan-4-yl)acetic acid Traditional Name: 2-(2-butyl-6-keto-2-phenyl-tetrahydropyran-4-yl)acetic acid Formula: C17H22O4 MolecularWeight: 290.35418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CC(CC(=O)O1)CC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCCCC1(CC(CC(=O)O1)CC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C17H22O4/c1-2-3-9-17(14-7-5-4-6-8-14)12-13(10-15(18)19)11-16(20)21-17/h4-8,13H,2-3,9-12H2,1H3,(H,18,19)