bis[5-(diethylamino)pentan-2-yl] 9-oxidanylidenefluorene-2,7-dicarboxylate hydrate hydrochloride

Systemtic Name: bis[5-(diethylamino)pentan-2-yl] 9-oxidanylidenefluorene-2,7-dicarboxylate hydrate hydrochloride Openeye Name: bis[4-(diethylamino)-1-methyl-butyl] 9-oxofluorene-2,7-dicarboxylate hydrate hydrochloride CAS Name: 9-oxofluorene-2,7-dicarboxylic acid bis[5-(diethylamino)pentan-2-yl] ester hydrate hydrochloride IUPAC Name: bis[5-(diethylamino)pentan-2-yl] 9-oxofluorene-2,7-dicarboxylate hydrate hydrochloride Traditional Name: 9-ketofluorene-2,7-dicarboxylic acid bis[4-(diethylamino)-1-methyl-butyl] ester hydrate hydrochloride Formula: C33H49ClN2O6 MolecularWeight: 605.20496

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC(C)OC(=O)C1=CC2=C(C=C1)C3=C(C2=O)C=C(C=C3)C(=O)OC(C)CCCN(CC)CC.O.Cl

Isomeric SMILES

CCN(CC)CCCC(C)OC(=O)C1=CC2=C(C=C1)C3=C(C2=O)C=C(C=C3)C(=O)OC(C)CCCN(CC)CC.O.Cl

InChI

InChI=1S/C33H46N2O5.ClH.H2O/c1-7-34(8-2)19-11-13-23(5)39-32(37)25-15-17-27-28-18-16-26(22-30(28)31(36)29(27)21-25)33(38)40-24(6)14-12-20-35(9-3)10-4;;/h15-18,21-24H,7-14,19-20H2,1-6H3;1H;1H2