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

Systemtic Name: 1-butyl-2-[(1-butyl-9-carboxy-9H-xanthen-2-yl)methyl]-9H-xanthene-9-carboxylic acid Openeye Name: 1-butyl-2-[(1-butyl-9-carboxy-9H-xanthen-2-yl)methyl]-9H-xanthene-9-carboxylic acid CAS Name: 1-butyl-2-[(1-butyl-9-carboxy-9H-xanthen-2-yl)methyl]-9H-xanthene-9-carboxylic acid IUPAC Name: 1-butyl-2-[(1-butyl-9-carboxy-9H-xanthen-2-yl)methyl]-9H-xanthene-9-carboxylic acid Traditional Name: 1-butyl-2-[(1-butyl-9-carboxy-9H-xanthen-2-yl)methyl]-9H-xanthene-9-carboxylic acid Formula: C37H36O6 MolecularWeight: 576.67814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC2=C1C(C3=CC=CC=C3O2)C(=O)O)CC4=C(C5=C(C=C4)OC6=CC=CC=C6C5C(=O)O)CCCC

Isomeric SMILES

CCCCC1=C(C=CC2=C1C(C3=CC=CC=C3O2)C(=O)O)CC4=C(C5=C(C=C4)OC6=CC=CC=C6C5C(=O)O)CCCC

InChI

InChI=1S/C37H36O6/c1-3-5-11-24-22(17-19-30-32(24)34(36(38)39)26-13-7-9-15-28(26)42-30)21-23-18-20-31-33(25(23)12-6-4-2)35(37(40)41)27-14-8-10-16-29(27)43-31/h7-10,13-20,34-35H,3-6,11-12,21H2,1-2H3,(H,38,39)(H,40,41)