pyren-1-yl ethanoate; sulfuric acid

Systemtic Name: pyren-1-yl ethanoate; sulfuric acid Openeye Name: pyren-1-yl acetate; sulfuric acid CAS Name: acetic acid 1-pyrenyl ester; sulfuric acid IUPAC Name: pyren-1-yl acetate; sulfuric acid Traditional Name: acetic acid pyren-1-yl ester; sulfuric acid Formula: C18H18O14S3 MolecularWeight: 554.52212

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O

Isomeric SMILES

CC(=O)OC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O

InChI

InChI=1S/C18H12O2.3H2O4S/c1-11(19)20-16-10-8-14-6-5-12-3-2-4-13-7-9-15(16)18(14)17(12)13;3*1-5(2,3)4/h2-10H,1H3;3*(H2,1,2,3,4)