6,6-diethoxy-3-(phenylmethyl)cyclohexa-2,4-diene-1,1-dicarboxylic acid

Systemtic Name: 6,6-diethoxy-3-(phenylmethyl)cyclohexa-2,4-diene-1,1-dicarboxylic acid Openeye Name: 3-benzyl-6,6-diethoxy-cyclohexa-2,4-diene-1,1-dicarboxylic acid CAS Name: 6,6-diethoxy-3-(phenylmethyl)cyclohexa-2,4-diene-1,1-dicarboxylic acid IUPAC Name: 3-benzyl-6,6-diethoxycyclohexa-2,4-diene-1,1-dicarboxylic acid Traditional Name: 3-benzyl-6,6-diethoxy-cyclohexa-2,4-diene-1,1-dicarboxylic acid Formula: C19H22O6 MolecularWeight: 346.37438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1(C=CC(=CC1(C(=O)O)C(=O)O)CC2=CC=CC=C2)OCC

Isomeric SMILES

CCOC1(C=CC(=CC1(C(=O)O)C(=O)O)CC2=CC=CC=C2)OCC

InChI

InChI=1S/C19H22O6/c1-3-24-19(25-4-2)11-10-15(12-14-8-6-5-7-9-14)13-18(19,16(20)21)17(22)23/h5-11,13H,3-4,12H2,1-2H3,(H,20,21)(H,22,23)