1,3-bis[3-(dibutylamino)propyl]-9-oxidanylidene-fluorene-2,7-dicarboxylate; iodanylmethane; hydrate

Systemtic Name: 1,3-bis[3-(dibutylamino)propyl]-9-oxidanylidene-fluorene-2,7-dicarboxylate; iodanylmethane; hydrate Openeye Name: 1,3-bis[3-(dibutylamino)propyl]-9-oxo-fluorene-2,7-dicarboxylate; iodomethane; hydrate CAS Name: 1,3-bis[3-(dibutylamino)propyl]-9-oxofluorene-2,7-dicarboxylate; iodomethane; hydrate IUPAC Name: 1,3-bis[3-(dibutylamino)propyl]-9-oxofluorene-2,7-dicarboxylate; iodomethane; hydrate Traditional Name: 1,3-bis[3-(dibutylamino)propyl]-9-keto-fluorene-2,7-dicarboxylate; iodomethane; hydrate Formula: C39H60I2N2O6-2 MolecularWeight: 906.71244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCCC1=C(C(=C2C(=C1)C3=C(C2=O)C=C(C=C3)C(=O)[O-])CCCN(CCCC)CCCC)C(=O)[O-].CI.CI.O

Isomeric SMILES

CCCCN(CCCC)CCCC1=C(C(=C2C(=C1)C3=C(C2=O)C=C(C=C3)C(=O)[O-])CCCN(CCCC)CCCC)C(=O)[O-].CI.CI.O

InChI

InChI=1S/C37H54N2O5.2CH3I.H2O/c1-5-9-19-38(20-10-6-2)23-13-15-27-25-31-29-18-17-28(36(41)42)26-32(29)35(40)34(31)30(33(27)37(43)44)16-14-24-39(21-11-7-3)22-12-8-4;2*1-2;/h17-18,25-26H,5-16,19-24H2,1-4H3,(H,41,42)(H,43,44);2*1H3;1H2/p-2