(2R,3S)-5-benzo[a]pyren-7-yl-2-(hydroxymethyl)oxolan-3-ol

Systemtic Name: (2R,3S)-5-benzo[a]pyren-7-yl-2-(hydroxymethyl)oxolan-3-ol Openeye Name: (2R,3S)-5-benzo[a]pyren-7-yl-2-(hydroxymethyl)tetrahydrofuran-3-ol CAS Name: (2R,3S)-5-(7-benzo[a]pyrenyl)-2-(hydroxymethyl)-3-oxolanol IUPAC Name: (2R,3S)-5-benzo[a]pyren-7-yl-2-(hydroxymethyl)oxolan-3-ol Traditional Name: (2R,3S)-5-benzo[a]pyren-7-yl-2-methylol-tetrahydrofuran-3-ol Formula: C25H20O3 MolecularWeight: 368.4245

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1C2=CC=CC3=C2C=C4C=CC5=C6C4=C3C=CC6=CC=C5)CO)O

Isomeric SMILES

C1[C@@H]([C@H](OC1C2=CC=CC3=C2C=C4C=CC5=C6C4=C3C=CC6=CC=C5)CO)O

InChI

InChI=1S/C25H20O3/c26-13-23-21(27)12-22(28-23)18-6-2-5-17-19-10-9-15-4-1-3-14-7-8-16(11-20(17)18)25(19)24(14)15/h1-11,21-23,26-27H,12-13H2/t21-,22?,23+/m0/s1