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

Systemtic Name: 1,3-bis[5-(dimethylamino)-2-methyl-pentyl]-9H-xanthene-2,7-dicarboxylic acid Openeye Name: 1,3-bis[5-(dimethylamino)-2-methyl-pentyl]-9H-xanthene-2,7-dicarboxylic acid CAS Name: 1,3-bis[5-(dimethylamino)-2-methylpentyl]-9H-xanthene-2,7-dicarboxylic acid IUPAC Name: 1,3-bis[5-(dimethylamino)-2-methylpentyl]-9H-xanthene-2,7-dicarboxylic acid Traditional Name: 1,3-bis[5-(dimethylamino)-2-methyl-pentyl]-9H-xanthene-2,7-dicarboxylic acid Formula: C31H44N2O5 MolecularWeight: 524.69146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H44N2O5/c1-20(9-7-13-32(3)4)15-24-19-28-25(18-23-17-22(30(34)35)11-12-27(23)38-28)26(29(24)31(36)37)16-21(2)10-8-14-33(5)6/h11-12,17,19-21H,7-10,13-16,18H2,1-6H3,(H,34,35)(H,36,37)