1,3-bis[5-(dimethylamino)-2,2-dimethyl-pentyl]-9H-xanthene-2,7-dicarboxylic acid

Systemtic Name: 1,3-bis[5-(dimethylamino)-2,2-dimethyl-pentyl]-9H-xanthene-2,7-dicarboxylic acid Openeye Name: 1,3-bis[5-(dimethylamino)-2,2-dimethyl-pentyl]-9H-xanthene-2,7-dicarboxylic acid CAS Name: 1,3-bis[5-(dimethylamino)-2,2-dimethylpentyl]-9H-xanthene-2,7-dicarboxylic acid IUPAC Name: 1,3-bis[5-(dimethylamino)-2,2-dimethylpentyl]-9H-xanthene-2,7-dicarboxylic acid Traditional Name: 1,3-bis[5-(dimethylamino)-2,2-dimethyl-pentyl]-9H-xanthene-2,7-dicarboxylic acid Formula: C33H48N2O5 MolecularWeight: 552.74462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCN(C)C)CC1=CC2=C(CC3=C(O2)C=CC(=C3)C(=O)O)C(=C1C(=O)O)CC(C)(C)CCCN(C)C

Isomeric SMILES

CC(C)(CCCN(C)C)CC1=CC2=C(CC3=C(O2)C=CC(=C3)C(=O)O)C(=C1C(=O)O)CC(C)(C)CCCN(C)C

InChI

InChI=1S/C33H48N2O5/c1-32(2,13-9-15-34(5)6)20-24-19-28-25(18-23-17-22(30(36)37)11-12-27(23)40-28)26(29(24)31(38)39)21-33(3,4)14-10-16-35(7)8/h11-12,17,19H,9-10,13-16,18,20-21H2,1-8H3,(H,36,37)(H,38,39)