2-[2-(1-adamantyl)-4-oxidanylidene-chromen-6-yl]ethanoic acid

Systemtic Name: 2-[2-(1-adamantyl)-4-oxidanylidene-chromen-6-yl]ethanoic acid Openeye Name: 2-[2-(1-adamantyl)-4-oxo-chromen-6-yl]acetic acid CAS Name: 2-[2-(1-adamantyl)-4-oxo-1-benzopyran-6-yl]acetic acid IUPAC Name: 2-[2-(1-adamantyl)-4-oxochromen-6-yl]acetic acid Traditional Name: 2-[2-(1-adamantyl)-4-keto-chromen-6-yl]acetic acid Formula: C21H22O4 MolecularWeight: 338.39698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(=O)C5=C(O4)C=CC(=C5)CC(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC(=O)C5=C(O4)C=CC(=C5)CC(=O)O

InChI

InChI=1S/C21H22O4/c22-17-8-19(21-9-13-3-14(10-21)5-15(4-13)11-21)25-18-2-1-12(6-16(17)18)7-20(23)24/h1-2,6,8,13-15H,3-5,7,9-11H2,(H,23,24)