1-pyren-1-ylethyl hydrogen sulfate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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