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

Systemtic Name: 7-(hydroxymethyl)benzo[a]pyren-3-ol Openeye Name: 7-(hydroxymethyl)benzo[a]pyren-3-ol CAS Name: 7-(hydroxymethyl)-3-benzo[a]pyrenol IUPAC Name: 7-(hydroxymethyl)benzo[a]pyren-3-ol Traditional Name: 7-methylolbenzo[a]pyren-3-ol Formula: C21H14O2 MolecularWeight: 298.33466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C3C=CC4=C(C=CC5=C4C3=C2C=C5)O)C(=C1)CO

Isomeric SMILES

C1=CC2=C(C=C3C=CC4=C(C=CC5=C4C3=C2C=C5)O)C(=C1)CO

InChI

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