O1-butyl O2-(phenylmethyl) benzene-1,2-dicarboxylate; propan-2-one

Systemtic Name: O1-butyl O2-(phenylmethyl) benzene-1,2-dicarboxylate; propan-2-one Openeye Name: acetone; O2-benzyl O1-butyl benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O1-butyl ester O2-(phenylmethyl) ester; 2-propanone IUPAC Name: 2-O-benzyl 1-O-butyl benzene-1,2-dicarboxylate; propan-2-one Traditional Name: acetone; benzene-1,2-dicarboxylic acid O2-benzyl ester O1-butyl ester Formula: C22H26O5 MolecularWeight: 370.43884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2.CC(=O)C

Isomeric SMILES

CCCCOC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2.CC(=O)C

InChI

InChI=1S/C19H20O4.C3H6O/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15;1-3(2)4/h4-12H,2-3,13-14H2,1H3;1-2H3