2,2-bis[2-(2,4-dimethylphenyl)-3-oxidanylidene-cyclohexen-1-yl]decanedioic acid

Systemtic Name: 2,2-bis[2-(2,4-dimethylphenyl)-3-oxidanylidene-cyclohexen-1-yl]decanedioic acid Openeye Name: 2,2-bis[2-(2,4-dimethylphenyl)-3-oxo-cyclohexen-1-yl]decanedioic acid CAS Name: 2,2-bis[2-(2,4-dimethylphenyl)-3-oxo-1-cyclohexenyl]decanedioic acid IUPAC Name: 2,2-bis[2-(2,4-dimethylphenyl)-3-oxocyclohexen-1-yl]decanedioic acid Traditional Name: 2,2-bis[2-(2,4-dimethylphenyl)-3-keto-cyclohexen-1-yl]sebacic acid Formula: C38H46O6 MolecularWeight: 598.76824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=C(CCCC2=O)C(CCCCCCCC(=O)O)(C3=C(C(=O)CCC3)C4=C(C=C(C=C4)C)C)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=C(CCCC2=O)C(CCCCCCCC(=O)O)(C3=C(C(=O)CCC3)C4=C(C=C(C=C4)C)C)C(=O)O)C

InChI

InChI=1S/C38H46O6/c1-24-17-19-28(26(3)22-24)35-30(12-10-14-32(35)39)38(37(43)44,21-9-7-5-6-8-16-34(41)42)31-13-11-15-33(40)36(31)29-20-18-25(2)23-27(29)4/h17-20,22-23H,5-16,21H2,1-4H3,(H,41,42)(H,43,44)