(E)-2-methyl-7-pyren-1-yl-hept-2-enoate

Systemtic Name: (E)-2-methyl-7-pyren-1-yl-hept-2-enoate Openeye Name: (E)-2-methyl-7-pyren-1-yl-hept-2-enoate CAS Name: (E)-2-methyl-7-(1-pyrenyl)-2-heptenoate IUPAC Name: (E)-2-methyl-7-pyren-1-ylhept-2-enoate Traditional Name: (E)-2-methyl-7-pyren-1-yl-hept-2-enoate Formula: C24H21O2- MolecularWeight: 341.42234

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)C(=O)[O-]

Isomeric SMILES

C/C(=C\CCCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)/C(=O)[O-]

InChI

InChI=1S/C24H22O2/c1-16(24(25)26)6-3-2-4-7-17-10-11-20-13-12-18-8-5-9-19-14-15-21(17)23(20)22(18)19/h5-6,8-15H,2-4,7H2,1H3,(H,25,26)/p-1/b16-6+