1,3-bis[3-(diethylamino)propyl]-9H-xanthene-2,7-dicarboxylic acid

Systemtic Name: 1,3-bis[3-(diethylamino)propyl]-9H-xanthene-2,7-dicarboxylic acid Openeye Name: 1,3-bis[3-(diethylamino)propyl]-9H-xanthene-2,7-dicarboxylic acid CAS Name: 1,3-bis[3-(diethylamino)propyl]-9H-xanthene-2,7-dicarboxylic acid IUPAC Name: 1,3-bis[3-(diethylamino)propyl]-9H-xanthene-2,7-dicarboxylic acid Traditional Name: 1,3-bis[3-(diethylamino)propyl]-9H-xanthene-2,7-dicarboxylic acid Formula: C29H40N2O5 MolecularWeight: 496.6383

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC1=CC2=C(CC3=C(O2)C=CC(=C3)C(=O)O)C(=C1C(=O)O)CCCN(CC)CC

Isomeric SMILES

CCN(CC)CCCC1=CC2=C(CC3=C(O2)C=CC(=C3)C(=O)O)C(=C1C(=O)O)CCCN(CC)CC

InChI

InChI=1S/C29H40N2O5/c1-5-30(6-2)15-9-11-20-19-26-24(18-22-17-21(28(32)33)13-14-25(22)36-26)23(27(20)29(34)35)12-10-16-31(7-3)8-4/h13-14,17,19H,5-12,15-16,18H2,1-4H3,(H,32,33)(H,34,35)