benzo[a]pyren-1-yl hydrogen sulfate

Systemtic Name: benzo[a]pyren-1-yl hydrogen sulfate Openeye Name: benzo[a]pyren-1-yl hydrogen sulfate CAS Name: sulfuric acid 1-benzo[a]pyrenyl ester IUPAC Name: benzo[a]pyren-1-yl hydrogen sulfate Traditional Name: sulfuric acid benzo[a]pyren-1-yl ester Formula: C20H12O4S MolecularWeight: 348.37188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=C(C=C5)OS(=O)(=O)O)C=C3

Isomeric SMILES

C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=C(C=C5)OS(=O)(=O)O)C=C3

InChI

InChI=1S/C20H12O4S/c21-25(22,23)24-18-10-7-12-5-6-14-11-13-3-1-2-4-15(13)16-8-9-17(18)19(12)20(14)16/h1-11H,(H,21,22,23)