2,2-bis[2-(2,5-dimethylphenyl)-3-oxidanylidene-cyclopenten-1-yl]decanedioic acid

Systemtic Name: 2,2-bis[2-(2,5-dimethylphenyl)-3-oxidanylidene-cyclopenten-1-yl]decanedioic acid Openeye Name: 2,2-bis[2-(2,5-dimethylphenyl)-3-oxo-cyclopenten-1-yl]decanedioic acid CAS Name: 2,2-bis[2-(2,5-dimethylphenyl)-3-oxo-1-cyclopentenyl]decanedioic acid IUPAC Name: 2,2-bis[2-(2,5-dimethylphenyl)-3-oxocyclopenten-1-yl]decanedioic acid Traditional Name: 2,2-bis[2-(2,5-dimethylphenyl)-3-keto-cyclopenten-1-yl]sebacic acid Formula: C36H42O6 MolecularWeight: 570.71508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=C(CCC2=O)C(CCCCCCCC(=O)O)(C3=C(C(=O)CC3)C4=C(C=CC(=C4)C)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=C(CCC2=O)C(CCCCCCCC(=O)O)(C3=C(C(=O)CC3)C4=C(C=CC(=C4)C)C)C(=O)O

InChI

InChI=1S/C36H42O6/c1-22-11-13-24(3)26(20-22)33-28(15-17-30(33)37)36(35(41)42,19-9-7-5-6-8-10-32(39)40)29-16-18-31(38)34(29)27-21-23(2)12-14-25(27)4/h11-14,20-21H,5-10,15-19H2,1-4H3,(H,39,40)(H,41,42)