3,4-dimethyl-4-nonoxycarbonyl-cyclohexa-1,5-diene-1,3-dicarboxylic acid

Systemtic Name: 3,4-dimethyl-4-nonoxycarbonyl-cyclohexa-1,5-diene-1,3-dicarboxylic acid Openeye Name: 3,4-dimethyl-4-nonoxycarbonyl-cyclohexa-1,5-diene-1,3-dicarboxylic acid CAS Name: 3,4-dimethyl-4-[nonoxy(oxo)methyl]cyclohexa-1,5-diene-1,3-dicarboxylic acid IUPAC Name: 3,4-dimethyl-4-nonoxycarbonylcyclohexa-1,5-diene-1,3-dicarboxylic acid Traditional Name: 3,4-dimethyl-4-nonoxycarbonyl-cyclohexa-1,5-diene-1,3-dicarboxylic acid Formula: C20H30O6 MolecularWeight: 366.4486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC(=O)C1(C=CC(=CC1(C)C(=O)O)C(=O)O)C

Isomeric SMILES

CCCCCCCCCOC(=O)C1(C=CC(=CC1(C)C(=O)O)C(=O)O)C

InChI

InChI=1S/C20H30O6/c1-4-5-6-7-8-9-10-13-26-18(25)19(2)12-11-15(16(21)22)14-20(19,3)17(23)24/h11-12,14H,4-10,13H2,1-3H3,(H,21,22)(H,23,24)