1-pyren-2-ylethyl hydrogen sulfate

Systemtic Name: 1-pyren-2-ylethyl hydrogen sulfate Openeye Name: 1-pyren-2-ylethyl hydrogen sulfate CAS Name: sulfuric acid 1-(2-pyrenyl)ethyl ester IUPAC Name: 1-pyren-2-ylethyl hydrogen sulfate Traditional Name: sulfuric acid 1-pyren-2-ylethyl ester Formula: C18H14O4S MolecularWeight: 326.36636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C3C(=C1)C=CC4=C3C(=CC=C4)C=C2)OS(=O)(=O)O

Isomeric SMILES

CC(C1=CC2=C3C(=C1)C=CC4=C3C(=CC=C4)C=C2)OS(=O)(=O)O

InChI

InChI=1S/C18H14O4S/c1-11(22-23(19,20)21)16-9-14-7-5-12-3-2-4-13-6-8-15(10-16)18(14)17(12)13/h2-11H,1H3,(H,19,20,21)