3,3-bis(3,5-dimethyl-4-oxidanyl-phenyl)pentanedioate

Systemtic Name: 3,3-bis(3,5-dimethyl-4-oxidanyl-phenyl)pentanedioate Openeye Name: 3,3-bis(4-hydroxy-3,5-dimethyl-phenyl)pentanedioate CAS Name: 3,3-bis(4-hydroxy-3,5-dimethylphenyl)pentanedioate IUPAC Name: 3,3-bis(4-hydroxy-3,5-dimethylphenyl)pentanedioate Traditional Name: 3,3-bis(4-hydroxy-3,5-dimethyl-phenyl)glutarate Formula: C21H22O6-2 MolecularWeight: 370.39578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C(CC(=O)[O-])(CC(=O)[O-])C2=CC(=C(C(=C2)C)O)C

Isomeric SMILES

CC1=CC(=CC(=C1O)C)C(CC(=O)[O-])(CC(=O)[O-])C2=CC(=C(C(=C2)C)O)C

InChI

InChI=1S/C21H24O6/c1-11-5-15(6-12(2)19(11)26)21(9-17(22)23,10-18(24)25)16-7-13(3)20(27)14(4)8-16/h5-8,26-27H,9-10H2,1-4H3,(H,22,23)(H,24,25)/p-2