7-[(4-nitrophenyl)methyl]-16-(pyren-1-ylmethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane

Systemtic Name: 7-[(4-nitrophenyl)methyl]-16-(pyren-1-ylmethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane Openeye Name: 7-[(4-nitrophenyl)methyl]-16-(pyren-1-ylmethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane CAS Name: 7-[(4-nitrophenyl)methyl]-16-(1-pyrenylmethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane IUPAC Name: 7-[(4-nitrophenyl)methyl]-16-(pyren-1-ylmethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane Traditional Name: 7-(4-nitrobenzyl)-16-(pyren-1-ylmethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane Formula: C36H41N3O6 MolecularWeight: 611.72724

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCOCCN(CCOCCOCCN1CC2=CC=C(C=C2)[N+](=O)[O-])CC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3

Isomeric SMILES

C1COCCOCCN(CCOCCOCCN1CC2=CC=C(C=C2)[N+](=O)[O-])CC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3

InChI

InChI=1S/C36H41N3O6/c40-39(41)33-11-4-28(5-12-33)26-37-14-18-42-22-24-44-20-16-38(17-21-45-25-23-43-19-15-37)27-32-9-8-31-7-6-29-2-1-3-30-10-13-34(32)36(31)35(29)30/h1-13H,14-27H2