methyl (Z)-3-pyren-1-ylbut-2-enoate

Systemtic Name: methyl (Z)-3-pyren-1-ylbut-2-enoate Openeye Name: methyl (Z)-3-pyren-1-ylbut-2-enoate CAS Name: (Z)-3-(1-pyrenyl)-2-butenoic acid methyl ester IUPAC Name: methyl (Z)-3-pyren-1-ylbut-2-enoate Traditional Name: (Z)-3-pyren-1-ylbut-2-enoic acid methyl ester Formula: C21H16O2 MolecularWeight: 300.35054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=C/C(=O)OC)/C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

InChI

InChI=1S/C21H16O2/c1-13(12-19(22)23-2)17-10-8-16-7-6-14-4-3-5-15-9-11-18(17)21(16)20(14)15/h3-12H,1-2H3/b13-12-