1,2-bis[3-(diethylamino)propyl]fluoranthene-3,8-dicarboxylic acid

Systemtic Name: 1,2-bis[3-(diethylamino)propyl]fluoranthene-3,8-dicarboxylic acid Openeye Name: 1,2-bis[3-(diethylamino)propyl]fluoranthene-3,8-dicarboxylic acid CAS Name: 1,2-bis[3-(diethylamino)propyl]fluoranthene-3,8-dicarboxylic acid IUPAC Name: 1,2-bis[3-(diethylamino)propyl]fluoranthene-3,8-dicarboxylic acid Traditional Name: 1,2-bis[3-(diethylamino)propyl]fluoranthene-3,8-dicarboxylic acid Formula: C32H40N2O4 MolecularWeight: 516.671

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC1=C2C3=C(C=C(C=C3)C(=O)O)C4=CC=CC(=C42)C(=C1CCCN(CC)CC)C(=O)O

Isomeric SMILES

CCN(CC)CCCC1=C2C3=C(C=C(C=C3)C(=O)O)C4=CC=CC(=C42)C(=C1CCCN(CC)CC)C(=O)O

InChI

InChI=1S/C32H40N2O4/c1-5-33(6-2)18-10-14-22-23(15-11-19-34(7-3)8-4)30(32(37)38)26-13-9-12-24-27-20-21(31(35)36)16-17-25(27)28(22)29(24)26/h9,12-13,16-17,20H,5-8,10-11,14-15,18-19H2,1-4H3,(H,35,36)(H,37,38)