(3-methyl-1,2-dihydrobenzo[j]aceanthrylen-1-yl) ethanoate

Systemtic Name: (3-methyl-1,2-dihydrobenzo[j]aceanthrylen-1-yl) ethanoate Openeye Name: (3-methyl-1,2-dihydrobenzo[j]aceanthrylen-1-yl) acetate CAS Name: acetic acid (3-methyl-1,2-dihydrobenzo[j]aceanthrylen-1-yl) ester IUPAC Name: (3-methyl-1,2-dihydrobenzo[j]aceanthrylen-1-yl) acetate Traditional Name: acetic acid (3-methylcholanthren-1-yl) ester Formula: C23H18O2 MolecularWeight: 326.38782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CC(C3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1)OC(=O)C

Isomeric SMILES

CC1=C2CC(C3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1)OC(=O)C

InChI

InChI=1S/C23H18O2/c1-13-7-8-16-11-20-17-6-4-3-5-15(17)9-10-18(20)23-21(25-14(2)24)12-19(13)22(16)23/h3-11,21H,12H2,1-2H3