1,2-bis[3-[bis(3-methylbutyl)amino]propyl]fluoranthene-3,8-dicarboxylate dihydrochloride

Systemtic Name: 1,2-bis[3-[bis(3-methylbutyl)amino]propyl]fluoranthene-3,8-dicarboxylate dihydrochloride Openeye Name: 1,2-bis[3-(diisopentylamino)propyl]fluoranthene-3,8-dicarboxylate dihydrochloride CAS Name: 1,2-bis[3-[bis(3-methylbutyl)amino]propyl]fluoranthene-3,8-dicarboxylate dihydrochloride IUPAC Name: 1,2-bis[3-[bis(3-methylbutyl)amino]propyl]fluoranthene-3,8-dicarboxylate dihydrochloride Traditional Name: 1,2-bis[3-(diisoamylamino)propyl]fluoranthene-3,8-dicarboxylate dihydrochloride Formula: C44H64Cl2N2O4-2 MolecularWeight: 755.89596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CCCC1=C2C3=C(C=C(C=C3)C(=O)[O-])C4=CC=CC(=C42)C(=C1CCCN(CCC(C)C)CCC(C)C)C(=O)[O-])CCC(C)C.Cl.Cl

Isomeric SMILES

CC(C)CCN(CCCC1=C2C3=C(C=C(C=C3)C(=O)[O-])C4=CC=CC(=C42)C(=C1CCCN(CCC(C)C)CCC(C)C)C(=O)[O-])CCC(C)C.Cl.Cl

InChI

InChI=1S/C44H64N2O4.2ClH/c1-29(2)18-24-45(25-19-30(3)4)22-10-14-34-35(15-11-23-46(26-20-31(5)6)27-21-32(7)8)42(44(49)50)38-13-9-12-36-39-28-33(43(47)48)16-17-37(39)40(34)41(36)38;;/h9,12-13,16-17,28-32H,10-11,14-15,18-27H2,1-8H3,(H,47,48)(H,49,50);2*1H/p-2