pyren-2-ylmethyl hydrogen sulfate

Systemtic Name: pyren-2-ylmethyl hydrogen sulfate Openeye Name: pyren-2-ylmethyl hydrogen sulfate CAS Name: sulfuric acid 2-pyrenylmethyl ester IUPAC Name: pyren-2-ylmethyl hydrogen sulfate Traditional Name: sulfuric acid pyren-2-ylmethyl ester Formula: C17H12O4S MolecularWeight: 312.33978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12O4S/c18-22(19,20)21-10-11-8-14-6-4-12-2-1-3-13-5-7-15(9-11)17(14)16(12)13/h1-9H,10H2,(H,18,19,20)