2,5-bis[[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxycarbonyl]terephthalic acid

Systemtic Name: 2,5-bis[[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxycarbonyl]terephthalic acid Openeye Name: 2,5-bis[[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]carbonyl]terephthalic acid CAS Name: 2,5-bis[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-oxomethyl]terephthalic acid IUPAC Name: 2,5-bis[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycarbonyl]terephthalic acid Traditional Name: 2,5-bis[[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]carbonyl]terephthalic acid Formula: C30H42O8 MolecularWeight: 530.64968

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=CC(=C(C=C2C(=O)O)C(=O)OC3CC(CCC3C(C)C)C)C(=O)O)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2=CC(=C(C=C2C(=O)O)C(=O)O[C@@H]3C[C@@H](CC[C@H]3C(C)C)C)C(=O)O)C(C)C

InChI

InChI=1S/C30H42O8/c1-15(2)19-9-7-17(5)11-25(19)37-29(35)23-13-22(28(33)34)24(14-21(23)27(31)32)30(36)38-26-12-18(6)8-10-20(26)16(3)4/h13-20,25-26H,7-12H2,1-6H3,(H,31,32)(H,33,34)/t17-,18-,19+,20+,25-,26-/m1/s1