6-(hydroxymethyl)benzo[a]pyren-3-ol

Systemtic Name: 6-(hydroxymethyl)benzo[a]pyren-3-ol Openeye Name: 6-(hydroxymethyl)benzo[a]pyren-3-ol CAS Name: 6-(hydroxymethyl)-3-benzo[a]pyrenol IUPAC Name: 6-(hydroxymethyl)benzo[a]pyren-3-ol Traditional Name: 6-methylolbenzo[a]pyren-3-ol Formula: C21H14O2 MolecularWeight: 298.33466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C4C(=C2CO)C=CC5=C(C=CC(=C54)C=C3)O

Isomeric SMILES

C1=CC=C2C(=C1)C3=C4C(=C2CO)C=CC5=C(C=CC(=C54)C=C3)O

InChI

InChI=1S/C21H14O2/c22-11-18-14-4-2-1-3-13(14)15-7-5-12-6-10-19(23)17-9-8-16(18)21(15)20(12)17/h1-10,22-23H,11H2