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

Systemtic Name: 6,6-dimethyl-4-(phenylmethyl)cyclohexa-2,4-diene-1,1-dicarboxylic acid Openeye Name: 4-benzyl-6,6-dimethyl-cyclohexa-2,4-diene-1,1-dicarboxylic acid CAS Name: 6,6-dimethyl-4-(phenylmethyl)cyclohexa-2,4-diene-1,1-dicarboxylic acid IUPAC Name: 4-benzyl-6,6-dimethylcyclohexa-2,4-diene-1,1-dicarboxylic acid Traditional Name: 4-benzyl-6,6-dimethyl-cyclohexa-2,4-diene-1,1-dicarboxylic acid Formula: C17H18O4 MolecularWeight: 286.32242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18O4/c1-16(2)11-13(10-12-6-4-3-5-7-12)8-9-17(16,14(18)19)15(20)21/h3-9,11H,10H2,1-2H3,(H,18,19)(H,20,21)