[7-(hydroxymethyl)-12-methyl-benzo[a]anthracen-5-yl] ethanoate

Systemtic Name: [7-(hydroxymethyl)-12-methyl-benzo[a]anthracen-5-yl] ethanoate Openeye Name: [7-(hydroxymethyl)-12-methyl-benzo[a]anthracen-5-yl] acetate CAS Name: acetic acid [7-(hydroxymethyl)-12-methyl-5-benzo[a]anthracenyl] ester IUPAC Name: [7-(hydroxymethyl)-12-methylbenzo[a]anthracen-5-yl] acetate Traditional Name: acetic acid (12-methyl-7-methylol-benz[a]anthracen-5-yl) ester Formula: C22H18O3 MolecularWeight: 330.37652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C3=CC=CC=C3C(=CC2=C(C4=CC=CC=C14)CO)OC(=O)C

Isomeric SMILES

CC1=C2C3=CC=CC=C3C(=CC2=C(C4=CC=CC=C14)CO)OC(=O)C

InChI

InChI=1S/C22H18O3/c1-13-15-7-3-4-8-16(15)20(12-23)19-11-21(25-14(2)24)17-9-5-6-10-18(17)22(13)19/h3-11,23H,12H2,1-2H3