1-[[4-(pyren-1-ylmethoxymethyl)phenyl]methoxymethyl]pyrene

Systemtic Name: 1-[[4-(pyren-1-ylmethoxymethyl)phenyl]methoxymethyl]pyrene Openeye Name: 1-[[4-(pyren-1-ylmethoxymethyl)phenyl]methoxymethyl]pyrene CAS Name: 1-[[4-(1-pyrenylmethoxymethyl)phenyl]methoxymethyl]pyrene IUPAC Name: 1-[[4-(pyren-1-ylmethoxymethyl)phenyl]methoxymethyl]pyrene Traditional Name: 1-[[4-(pyren-1-ylmethoxymethyl)benzyl]oxymethyl]pyrene Formula: C42H30O2 MolecularWeight: 566.6864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)COCC5=CC=C(C=C5)COCC6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)COCC5=CC=C(C=C5)COCC6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6

InChI

InChI=1S/C42H30O2/c1-3-29-11-13-33-15-17-35(37-21-19-31(5-1)39(29)41(33)37)25-43-23-27-7-9-28(10-8-27)24-44-26-36-18-16-34-14-12-30-4-2-6-32-20-22-38(36)42(34)40(30)32/h1-22H,23-26H2