4-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-2,3,4-triethoxy-cyclobut-2-en-1-one

Systemtic Name: 4-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-2,3,4-triethoxy-cyclobut-2-en-1-one Openeye Name: 4-[2-(1-adamantyl)-2-oxo-ethyl]-2,3,4-triethoxy-cyclobut-2-en-1-one CAS Name: 4-[2-(1-adamantyl)-2-oxoethyl]-2,3,4-triethoxy-1-cyclobut-2-enone IUPAC Name: 4-[2-(1-adamantyl)-2-oxoethyl]-2,3,4-triethoxycyclobut-2-en-1-one Traditional Name: 4-[2-(1-adamantyl)-2-keto-ethyl]-2,3,4-triethoxy-cyclobut-2-en-1-one Formula: C22H32O5 MolecularWeight: 376.48648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(C1=O)(CC(=O)C23CC4CC(C2)CC(C4)C3)OCC)OCC

Isomeric SMILES

CCOC1=C(C(C1=O)(CC(=O)C23CC4CC(C2)CC(C4)C3)OCC)OCC

InChI

InChI=1S/C22H32O5/c1-4-25-18-19(24)22(27-6-3,20(18)26-5-2)13-17(23)21-10-14-7-15(11-21)9-16(8-14)12-21/h14-16H,4-13H2,1-3H3