5-methylspiro[4H-isochromene-1,3'-benzo[g][2]benzofuran]-1',3-dione

Systemtic Name: 5-methylspiro[4H-isochromene-1,3'-benzo[g][2]benzofuran]-1',3-dione Openeye Name: 5'-methylspiro[benzo[g]isobenzofuran-3,1'-isochromane]-1,3'-dione CAS Name: 5-methylspiro[3,4-dihydro-1H-2-benzopyran-1,3'-benzo[g]isobenzofuran]-1',3-dione IUPAC Name: 5-methylspiro[4H-isochromene-1,3'-benzo[g][2]benzofuran]-1',3-dione Traditional Name: 5'-methylspiro[benz[g]isobenzofuran-3,1'-isochroman]-1,3'-quinone Formula: C21H14O4 MolecularWeight: 330.33346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1CC(=O)OC23C4=C(C5=CC=CC=C5C=C4)C(=O)O3

Isomeric SMILES

CC1=CC=CC2=C1CC(=O)OC23C4=C(C5=CC=CC=C5C=C4)C(=O)O3

InChI

InChI=1S/C21H14O4/c1-12-5-4-8-16-15(12)11-18(22)24-21(16)17-10-9-13-6-2-3-7-14(13)19(17)20(23)25-21/h2-10H,11H2,1H3