3,4-bis(4-oxidanylbutyl)-4-phenyl-cyclohexa-2,5-diene-1,1-dicarboxylic acid

Systemtic Name: 3,4-bis(4-oxidanylbutyl)-4-phenyl-cyclohexa-2,5-diene-1,1-dicarboxylic acid Openeye Name: 3,4-bis(4-hydroxybutyl)-4-phenyl-cyclohexa-2,5-diene-1,1-dicarboxylic acid CAS Name: 3,4-bis(4-hydroxybutyl)-4-phenylcyclohexa-2,5-diene-1,1-dicarboxylic acid IUPAC Name: 3,4-bis(4-hydroxybutyl)-4-phenylcyclohexa-2,5-diene-1,1-dicarboxylic acid Traditional Name: 3,4-bis(4-hydroxybutyl)-4-phenyl-cyclohexa-2,5-diene-1,1-dicarboxylic acid Formula: C22H28O6 MolecularWeight: 388.45412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2(C=CC(C=C2CCCCO)(C(=O)O)C(=O)O)CCCCO

Isomeric SMILES

C1=CC=C(C=C1)C2(C=CC(C=C2CCCCO)(C(=O)O)C(=O)O)CCCCO

InChI

InChI=1S/C22H28O6/c23-14-6-4-10-18-16-22(19(25)26,20(27)28)13-12-21(18,11-5-7-15-24)17-8-2-1-3-9-17/h1-3,8-9,12-13,16,23-24H,4-7,10-11,14-15H2,(H,25,26)(H,27,28)