2-butyl-4-(7-butylphenanthren-4-yl)pyrene

Systemtic Name: 2-butyl-4-(7-butylphenanthren-4-yl)pyrene Openeye Name: 2-butyl-4-(7-butyl-4-phenanthryl)pyrene CAS Name: 2-butyl-4-(7-butyl-4-phenanthrenyl)pyrene IUPAC Name: 2-butyl-4-(7-butylphenanthren-4-yl)pyrene Traditional Name: 2-butyl-4-(7-butyl-4-phenanthryl)pyrene Formula: C38H34 MolecularWeight: 490.67656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)C3=C(C=CC=C3C4=CC5=CC=CC6=C5C7=C4C=C(C=C7C=C6)CCCC)C=C2

Isomeric SMILES

CCCCC1=CC2=C(C=C1)C3=C(C=CC=C3C4=CC5=CC=CC6=C5C7=C4C=C(C=C7C=C6)CCCC)C=C2

InChI

InChI=1S/C38H34/c1-3-5-9-25-15-20-32-29(21-25)18-16-28-12-8-14-33(37(28)32)34-24-30-13-7-11-27-17-19-31-22-26(10-6-4-2)23-35(34)38(31)36(27)30/h7-8,11-24H,3-6,9-10H2,1-2H3