1,2-bis(1-pentyl-4-bicyclo[2.2.2]octanyl)perylene-3,10-dicarboxylate

Systemtic Name: 1,2-bis(1-pentyl-4-bicyclo[2.2.2]octanyl)perylene-3,10-dicarboxylate Openeye Name: 1,2-bis(1-pentyl-4-bicyclo[2.2.2]octanyl)perylene-3,10-dicarboxylate CAS Name: 1,2-bis(1-pentyl-4-bicyclo[2.2.2]octanyl)perylene-3,10-dicarboxylate IUPAC Name: 1,2-bis(1-pentyl-4-bicyclo[2.2.2]octanyl)perylene-3,10-dicarboxylate Traditional Name: 1,2-bis(1-amyl-4-bicyclo[2.2.2]octanyl)perylene-3,10-dicarboxylate Formula: C48H54O4-2 MolecularWeight: 694.93996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC12CCC(CC1)(CC2)C3=C4C5=CC=C(C6=CC=CC(=C65)C7=C4C(=CC=C7)C(=C3C89CCC(CC8)(CC9)CCCCC)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCC12CCC(CC1)(CC2)C3=C4C5=CC=C(C6=CC=CC(=C65)C7=C4C(=CC=C7)C(=C3C89CCC(CC8)(CC9)CCCCC)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C48H56O4/c1-3-5-7-17-45-19-25-47(26-20-45,27-21-45)41-39-36-16-15-34(43(49)50)33-13-9-11-31(37(33)36)32-12-10-14-35(38(32)39)40(44(51)52)42(41)48-28-22-46(23-29-48,24-30-48)18-8-6-4-2/h9-16H,3-8,17-30H2,1-2H3,(H,49,50)(H,51,52)/p-2