[5,6-bis(2-methoxyethoxymethoxy)-4,7-bis(phenylmethyl)-1,3-diazepan-2-yl]-iodanyl-methyl-sulfanium

Systemtic Name: [5,6-bis(2-methoxyethoxymethoxy)-4,7-bis(phenylmethyl)-1,3-diazepan-2-yl]-iodanyl-methyl-sulfanium Openeye Name: [4,7-dibenzyl-5,6-bis(2-methoxyethoxymethoxy)-1,3-diazepan-2-yl]-iodo-methyl-sulfonium CAS Name: [5,6-bis(2-methoxyethoxymethoxy)-4,7-bis(phenylmethyl)-1,3-diazepan-2-yl]-iodo-methylsulfonium IUPAC Name: [4,7-dibenzyl-5,6-bis(2-methoxyethoxymethoxy)-1,3-diazepan-2-yl]-iodo-methylsulfanium Traditional Name: [4,7-dibenzyl-5,6-bis(2-methoxyethoxymethoxy)-1,3-diazepan-2-yl]-iodo-methyl-sulfonium Formula: C28H42IN2O6S+ MolecularWeight: 661.61235

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCOC1C(NC(NC(C1OCOCCOC)CC2=CC=CC=C2)[S+](C)I)CC3=CC=CC=C3

Isomeric SMILES

COCCOCOC1C(NC(NC(C1OCOCCOC)CC2=CC=CC=C2)[S+](C)I)CC3=CC=CC=C3

InChI

InChI=1S/C28H42IN2O6S/c1-32-14-16-34-20-36-26-24(18-22-10-6-4-7-11-22)30-28(38(3)29)31-25(19-23-12-8-5-9-13-23)27(26)37-21-35-17-15-33-2/h4-13,24-28,30-31H,14-21H2,1-3H3/q+1