4,5-bis(cyclopropylmethyl)-2-benzofuran-1,3-dicarboxylic acid

Systemtic Name: 4,5-bis(cyclopropylmethyl)-2-benzofuran-1,3-dicarboxylic acid Openeye Name: 4,5-bis(cyclopropylmethyl)isobenzofuran-1,3-dicarboxylic acid CAS Name: 4,5-bis(cyclopropylmethyl)isobenzofuran-1,3-dicarboxylic acid IUPAC Name: 4,5-bis(cyclopropylmethyl)-2-benzofuran-1,3-dicarboxylic acid Traditional Name: 4,5-bis(cyclopropylmethyl)isobenzofuran-1,3-dicarboxylic acid Formula: C18H18O5 MolecularWeight: 314.33252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1CC2=C(C3=C(OC(=C3C=C2)C(=O)O)C(=O)O)CC4CC4

Isomeric SMILES

C1CC1CC2=C(C3=C(OC(=C3C=C2)C(=O)O)C(=O)O)CC4CC4

InChI

InChI=1S/C18H18O5/c19-17(20)15-12-6-5-11(7-9-1-2-9)13(8-10-3-4-10)14(12)16(23-15)18(21)22/h5-6,9-10H,1-4,7-8H2,(H,19,20)(H,21,22)