(4-methyl-3-oxidanylidene-pent-4-enyl) 4-pyren-1-ylbutanoate

Systemtic Name: (4-methyl-3-oxidanylidene-pent-4-enyl) 4-pyren-1-ylbutanoate Openeye Name: (4-methyl-3-oxo-pent-4-enyl) 4-pyren-1-ylbutanoate CAS Name: 4-(1-pyrenyl)butanoic acid (4-methyl-3-oxopent-4-enyl) ester IUPAC Name: (4-methyl-3-oxopent-4-enyl) 4-pyren-1-ylbutanoate Traditional Name: 4-pyren-1-ylbutyric acid (3-keto-4-methyl-pent-4-enyl) ester Formula: C26H24O3 MolecularWeight: 384.46696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)CCOC(=O)CCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

Isomeric SMILES

CC(=C)C(=O)CCOC(=O)CCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

InChI

InChI=1S/C26H24O3/c1-17(2)23(27)15-16-29-24(28)8-4-5-18-9-10-21-12-11-19-6-3-7-20-13-14-22(18)26(21)25(19)20/h3,6-7,9-14H,1,4-5,8,15-16H2,2H3