6-butyl-4'-phenyl-spiro[2-benzofuran-3,2'-furan]-1,3'-dione

Systemtic Name: 6-butyl-4'-phenyl-spiro[2-benzofuran-3,2'-furan]-1,3'-dione Openeye Name: 6'-butyl-4-phenyl-spiro[furan-2,3'-isobenzofuran]-1',3-dione CAS Name: 6'-butyl-4-phenylspiro[furan-2,3'-isobenzofuran]-1',3-dione IUPAC Name: 6-butyl-4'-phenylspiro[2-benzofuran-3,2'-furan]-1,3'-dione Traditional Name: 6'-butyl-4-phenyl-spiro[furan-2,3'-phthalan]-1',3-quinone Formula: C21H18O4 MolecularWeight: 334.36522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)C3(C(=O)C(=CO3)C4=CC=CC=C4)OC2=O

Isomeric SMILES

CCCCC1=CC2=C(C=C1)C3(C(=O)C(=CO3)C4=CC=CC=C4)OC2=O

InChI

InChI=1S/C21H18O4/c1-2-3-7-14-10-11-18-16(12-14)20(23)25-21(18)19(22)17(13-24-21)15-8-5-4-6-9-15/h4-6,8-13H,2-3,7H2,1H3