1,3-bis[4-[di(propan-2-yl)amino]butyl]-9H-xanthene-2,7-dicarboxylic acid

Systemtic Name: 1,3-bis[4-[di(propan-2-yl)amino]butyl]-9H-xanthene-2,7-dicarboxylic acid Openeye Name: 1,3-bis[4-(diisopropylamino)butyl]-9H-xanthene-2,7-dicarboxylic acid CAS Name: 1,3-bis[4-[di(propan-2-yl)amino]butyl]-9H-xanthene-2,7-dicarboxylic acid IUPAC Name: 1,3-bis[4-[di(propan-2-yl)amino]butyl]-9H-xanthene-2,7-dicarboxylic acid Traditional Name: 1,3-bis[4-(diisopropylamino)butyl]-9H-xanthene-2,7-dicarboxylic acid Formula: C35H52N2O5 MolecularWeight: 580.79778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCCCC1=CC2=C(CC3=C(O2)C=CC(=C3)C(=O)O)C(=C1C(=O)O)CCCCN(C(C)C)C(C)C)C(C)C

Isomeric SMILES

CC(C)N(CCCCC1=CC2=C(CC3=C(O2)C=CC(=C3)C(=O)O)C(=C1C(=O)O)CCCCN(C(C)C)C(C)C)C(C)C

InChI

InChI=1S/C35H52N2O5/c1-22(2)36(23(3)4)17-11-9-13-26-21-32-30(20-28-19-27(34(38)39)15-16-31(28)42-32)29(33(26)35(40)41)14-10-12-18-37(24(5)6)25(7)8/h15-16,19,21-25H,9-14,17-18,20H2,1-8H3,(H,38,39)(H,40,41)