4-pyren-1-ylbutanoyl (4E)-4-hydroxyimino-4-(4-pyren-1-ylbutanoyloxy)butanoate

Systemtic Name: 4-pyren-1-ylbutanoyl (4E)-4-hydroxyimino-4-(4-pyren-1-ylbutanoyloxy)butanoate Openeye Name: 4-pyren-1-ylbutanoyl (4E)-4-hydroxyimino-4-(4-pyren-1-ylbutanoyloxy)butanoate CAS Name: (4E)-4-hydroxyimino-4-[1-oxo-4-(1-pyrenyl)butoxy]butanoic acid [1-oxo-4-(1-pyrenyl)butyl] ester IUPAC Name: 4-pyren-1-ylbutanoyl (4E)-4-hydroxyimino-4-(4-pyren-1-ylbutanoyloxy)butanoate Traditional Name: (4E)-4-hydroximino-4-(4-pyren-1-ylbutanoyloxy)butyric acid 4-pyren-1-ylbutanoyl ester Formula: C44H35NO6 MolecularWeight: 673.7518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCC(=O)OC(=NO)CCC(=O)OC(=O)CCCC5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCC(=O)O/C(=N/O)/CCC(=O)OC(=O)CCCC5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5

InChI

InChI=1S/C44H35NO6/c46-38(11-3-5-27-13-15-33-19-17-29-7-1-9-31-21-23-35(27)43(33)41(29)31)50-37(45-49)25-26-40(48)51-39(47)12-4-6-28-14-16-34-20-18-30-8-2-10-32-22-24-36(28)44(34)42(30)32/h1-2,7-10,13-24,49H,3-6,11-12,25-26H2/b45-37+