2,2-bis[[3,5-bis(1-methylcyclohexyl)-4-oxidanyl-phenyl]methyl]propanedioic acid

Systemtic Name: 2,2-bis[[3,5-bis(1-methylcyclohexyl)-4-oxidanyl-phenyl]methyl]propanedioic acid Openeye Name: 2,2-bis[[4-hydroxy-3,5-bis(1-methylcyclohexyl)phenyl]methyl]propanedioic acid CAS Name: 2,2-bis[[4-hydroxy-3,5-bis(1-methylcyclohexyl)phenyl]methyl]propanedioic acid IUPAC Name: 2,2-bis[[4-hydroxy-3,5-bis(1-methylcyclohexyl)phenyl]methyl]propanedioic acid Traditional Name: 2,2-bis[4-hydroxy-3,5-bis(1-methylcyclohexyl)benzyl]malonic acid Formula: C45H64O6 MolecularWeight: 700.98606

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1)C2=CC(=CC(=C2O)C3(CCCCC3)C)CC(CC4=CC(=C(C(=C4)C5(CCCCC5)C)O)C6(CCCCC6)C)(C(=O)O)C(=O)O

Isomeric SMILES

CC1(CCCCC1)C2=CC(=CC(=C2O)C3(CCCCC3)C)CC(CC4=CC(=C(C(=C4)C5(CCCCC5)C)O)C6(CCCCC6)C)(C(=O)O)C(=O)O

InChI

InChI=1S/C45H64O6/c1-41(17-9-5-10-18-41)33-25-31(26-34(37(33)46)42(2)19-11-6-12-20-42)29-45(39(48)49,40(50)51)30-32-27-35(43(3)21-13-7-14-22-43)38(47)36(28-32)44(4)23-15-8-16-24-44/h25-28,46-47H,5-24,29-30H2,1-4H3,(H,48,49)(H,50,51)