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

Systemtic Name: 6,6-dimethoxy-3-(phenylmethyl)cyclohexa-2,4-diene-1,1-dicarboxylic acid Openeye Name: 3-benzyl-6,6-dimethoxy-cyclohexa-2,4-diene-1,1-dicarboxylic acid CAS Name: 6,6-dimethoxy-3-(phenylmethyl)cyclohexa-2,4-diene-1,1-dicarboxylic acid IUPAC Name: 3-benzyl-6,6-dimethoxycyclohexa-2,4-diene-1,1-dicarboxylic acid Traditional Name: 3-benzyl-6,6-dimethoxy-cyclohexa-2,4-diene-1,1-dicarboxylic acid Formula: C17H18O6 MolecularWeight: 318.32122

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C=CC(=CC1(C(=O)O)C(=O)O)CC2=CC=CC=C2)OC

Isomeric SMILES

COC1(C=CC(=CC1(C(=O)O)C(=O)O)CC2=CC=CC=C2)OC

InChI

InChI=1S/C17H18O6/c1-22-17(23-2)9-8-13(10-12-6-4-3-5-7-12)11-16(17,14(18)19)15(20)21/h3-9,11H,10H2,1-2H3,(H,18,19)(H,20,21)