2,5-bis(azepan-1-ylmethyl)-1,6-bis(4-propoxyphenyl)hexane-1,6-diol; iodanylmethane

Systemtic Name: 2,5-bis(azepan-1-ylmethyl)-1,6-bis(4-propoxyphenyl)hexane-1,6-diol; iodanylmethane Openeye Name: 2,5-bis(azepan-1-ylmethyl)-1,6-bis(4-propoxyphenyl)hexane-1,6-diol; iodomethane CAS Name: 2,5-bis(1-azepanylmethyl)-1,6-bis(4-propoxyphenyl)hexane-1,6-diol; iodomethane IUPAC Name: 2,5-bis(azepan-1-ylmethyl)-1,6-bis(4-propoxyphenyl)hexane-1,6-diol; iodomethane Traditional Name: 2,5-bis(azepan-1-ylmethyl)-1,6-bis(4-propoxyphenyl)hexane-1,6-diol; iodomethane Formula: C40H66I2N2O4 MolecularWeight: 892.77198

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(C(CCC(CN2CCCCCC2)C(C3=CC=C(C=C3)OCCC)O)CN4CCCCCC4)O.CI.CI

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(C(CCC(CN2CCCCCC2)C(C3=CC=C(C=C3)OCCC)O)CN4CCCCCC4)O.CI.CI

InChI

InChI=1S/C38H60N2O4.2CH3I/c1-3-27-43-35-19-15-31(16-20-35)37(41)33(29-39-23-9-5-6-10-24-39)13-14-34(30-40-25-11-7-8-12-26-40)38(42)32-17-21-36(22-18-32)44-28-4-2;2*1-2/h15-22,33-34,37-38,41-42H,3-14,23-30H2,1-2H3;2*1H3