1-phenanthren-2-ylethyl hydrogen sulfate

Systemtic Name: 1-phenanthren-2-ylethyl hydrogen sulfate Openeye Name: 1-(2-phenanthryl)ethyl hydrogen sulfate CAS Name: sulfuric acid 1-(2-phenanthrenyl)ethyl ester IUPAC Name: 1-phenanthren-2-ylethyl hydrogen sulfate Traditional Name: sulfuric acid 1-(2-phenanthryl)ethyl ester Formula: C16H14O4S MolecularWeight: 302.34496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C3=CC=CC=C3C=C2)OS(=O)(=O)O

Isomeric SMILES

CC(C1=CC2=C(C=C1)C3=CC=CC=C3C=C2)OS(=O)(=O)O

InChI

InChI=1S/C16H14O4S/c1-11(20-21(17,18)19)13-8-9-16-14(10-13)7-6-12-4-2-3-5-15(12)16/h2-11H,1H3,(H,17,18,19)