ethyl 3-methyl-4-pyren-1-yl-benzoate

Systemtic Name: ethyl 3-methyl-4-pyren-1-yl-benzoate Openeye Name: ethyl 3-methyl-4-pyren-1-yl-benzoate CAS Name: 3-methyl-4-(1-pyrenyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-methyl-4-pyren-1-ylbenzoate Traditional Name: 3-methyl-4-pyren-1-yl-benzoic acid ethyl ester Formula: C26H20O2 MolecularWeight: 364.4358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)C

InChI

InChI=1S/C26H20O2/c1-3-28-26(27)20-11-12-21(16(2)15-20)22-13-9-19-8-7-17-5-4-6-18-10-14-23(22)25(19)24(17)18/h4-15H,3H2,1-2H3