4-benzo[b]pyren-6-ylpent-4-en-2-ol

Systemtic Name: 4-benzo[b]pyren-6-ylpent-4-en-2-ol Openeye Name: 4-benzo[b]pyren-6-ylpent-4-en-2-ol CAS Name: 4-(6-benzo[b]pyrenyl)-4-penten-2-ol IUPAC Name: 4-benzo[b]pyren-6-ylpent-4-en-2-ol Traditional Name: 4-benzo[b]pyren-6-ylpent-4-en-2-ol Formula: C25H20O MolecularWeight: 336.4257

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=C)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C5=CC=CC=C51)O

Isomeric SMILES

CC(CC(=C)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C5=CC=CC=C51)O

InChI

InChI=1S/C25H20O/c1-15(14-16(2)26)23-20-9-4-3-8-19(20)21-12-10-17-6-5-7-18-11-13-22(23)25(21)24(17)18/h3-13,16,26H,1,14H2,2H3