2-[[9-carboxy-1-(oxolan-2-ylmethyl)-9H-xanthen-2-yl]methyl]-1-(oxolan-2-ylmethyl)-9H-xanthene-9-carboxylic acid

Systemtic Name: 2-[[9-carboxy-1-(oxolan-2-ylmethyl)-9H-xanthen-2-yl]methyl]-1-(oxolan-2-ylmethyl)-9H-xanthene-9-carboxylic acid Openeye Name: 2-[[9-carboxy-1-(tetrahydrofuran-2-ylmethyl)-9H-xanthen-2-yl]methyl]-1-(tetrahydrofuran-2-ylmethyl)-9H-xanthene-9-carboxylic acid CAS Name: 2-[[9-carboxy-1-(2-oxolanylmethyl)-9H-xanthen-2-yl]methyl]-1-(2-oxolanylmethyl)-9H-xanthene-9-carboxylic acid IUPAC Name: 2-[[9-carboxy-1-(oxolan-2-ylmethyl)-9H-xanthen-2-yl]methyl]-1-(oxolan-2-ylmethyl)-9H-xanthene-9-carboxylic acid Traditional Name: 2-[[9-carboxy-1-(tetrahydrofurfuryl)-9H-xanthen-2-yl]methyl]-1-(tetrahydrofurfuryl)-9H-xanthene-9-carboxylic acid Formula: C39H36O8 MolecularWeight: 632.69834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CC2=C(C=CC3=C2C(C4=CC=CC=C4O3)C(=O)O)CC5=C(C6=C(C=C5)OC7=CC=CC=C7C6C(=O)O)CC8CCCO8

Isomeric SMILES

C1CC(OC1)CC2=C(C=CC3=C2C(C4=CC=CC=C4O3)C(=O)O)CC5=C(C6=C(C=C5)OC7=CC=CC=C7C6C(=O)O)CC8CCCO8

InChI

InChI=1S/C39H36O8/c40-38(41)36-26-9-1-3-11-30(26)46-32-15-13-22(28(34(32)36)20-24-7-5-17-44-24)19-23-14-16-33-35(29(23)21-25-8-6-18-45-25)37(39(42)43)27-10-2-4-12-31(27)47-33/h1-4,9-16,24-25,36-37H,5-8,17-21H2,(H,40,41)(H,42,43)