3-pyren-1-ylpropyl methanesulfonate

Systemtic Name: 3-pyren-1-ylpropyl methanesulfonate Openeye Name: 3-pyren-1-ylpropyl methanesulfonate CAS Name: methanesulfonic acid 3-(1-pyrenyl)propyl ester IUPAC Name: 3-pyren-1-ylpropyl methanesulfonate Traditional Name: methanesulfonic acid 3-pyren-1-ylpropyl ester Formula: C20H18O3S MolecularWeight: 338.42012

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

Isomeric SMILES

CS(=O)(=O)OCCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

InChI

InChI=1S/C20H18O3S/c1-24(21,22)23-13-3-6-14-7-8-17-10-9-15-4-2-5-16-11-12-18(14)20(17)19(15)16/h2,4-5,7-12H,3,6,13H2,1H3