2-octoxy-5-(2-octoxyphenanthren-4-yl)pyrene

Systemtic Name: 2-octoxy-5-(2-octoxyphenanthren-4-yl)pyrene Openeye Name: 2-octoxy-5-(2-octoxy-4-phenanthryl)pyrene CAS Name: 2-octoxy-5-(2-octoxy-4-phenanthrenyl)pyrene IUPAC Name: 2-octoxy-5-(2-octoxyphenanthren-4-yl)pyrene Traditional Name: 2-octoxy-5-(2-octoxy-4-phenanthryl)pyrene Formula: C46H50O2 MolecularWeight: 634.888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC2=C3C(=C1)C=CC4=C3C(=CC=C4)C(=C2)C5=C6C(=CC(=C5)OCCCCCCCC)C=CC7=CC=CC=C76

Isomeric SMILES

CCCCCCCCOC1=CC2=C3C(=C1)C=CC4=C3C(=CC=C4)C(=C2)C5=C6C(=CC(=C5)OCCCCCCCC)C=CC7=CC=CC=C76

InChI

InChI=1S/C46H50O2/c1-3-5-7-9-11-15-26-47-38-28-35-25-23-34-19-17-21-41-42(31-37(30-38)44(35)46(34)41)43-32-39(48-27-16-12-10-8-6-4-2)29-36-24-22-33-18-13-14-20-40(33)45(36)43/h13-14,17-25,28-32H,3-12,15-16,26-27H2,1-2H3