1,2-bis[3-(dipropylamino)propyl]fluoranthene-3,9-dicarboxylic acid

Systemtic Name: 1,2-bis[3-(dipropylamino)propyl]fluoranthene-3,9-dicarboxylic acid Openeye Name: 1,2-bis[3-(dipropylamino)propyl]fluoranthene-3,9-dicarboxylic acid CAS Name: 1,2-bis[3-(dipropylamino)propyl]fluoranthene-3,9-dicarboxylic acid IUPAC Name: 1,2-bis[3-(dipropylamino)propyl]fluoranthene-3,9-dicarboxylic acid Traditional Name: 1,2-bis[3-(dipropylamino)propyl]fluoranthene-3,9-dicarboxylic acid Formula: C36H48N2O4 MolecularWeight: 572.77732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H48N2O4/c1-5-18-37(19-6-2)22-10-14-28-29(15-11-23-38(20-7-3)21-8-4)34(36(41)42)30-13-9-12-27-26-17-16-25(35(39)40)24-31(26)33(28)32(27)30/h9,12-13,16-17,24H,5-8,10-11,14-15,18-23H2,1-4H3,(H,39,40)(H,41,42)