1-pyren-1-ylethyl 2-chloranylethanoate

Systemtic Name: 1-pyren-1-ylethyl 2-chloranylethanoate Openeye Name: 1-pyren-1-ylethyl 2-chloroacetate CAS Name: 2-chloroacetic acid 1-(1-pyrenyl)ethyl ester IUPAC Name: 1-pyren-1-ylethyl 2-chloroacetate Traditional Name: 2-chloroacetic acid 1-pyren-1-ylethyl ester Formula: C20H15ClO2 MolecularWeight: 322.7849

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15ClO2/c1-12(23-18(22)11-21)16-9-7-15-6-5-13-3-2-4-14-8-10-17(16)20(15)19(13)14/h2-10,12H,11H2,1H3