6-chloranyl-2,2,4-trimethyl-4-(5-methyl-2-propan-2-yl-cyclohexyl)oxycarbonyl-6-(oxan-2-yloxycarbonyl)octanoic acid

Systemtic Name: 6-chloranyl-2,2,4-trimethyl-4-(5-methyl-2-propan-2-yl-cyclohexyl)oxycarbonyl-6-(oxan-2-yloxycarbonyl)octanoic acid Openeye Name: 6-chloro-4-(2-isopropyl-5-methyl-cyclohexoxy)carbonyl-2,2,4-trimethyl-6-tetrahydropyran-2-yloxycarbonyl-octanoic acid CAS Name: 6-chloro-2,2,4-trimethyl-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxy-oxomethyl]-6-[2-oxanyloxy(oxo)methyl]octanoic acid IUPAC Name: 6-chloro-2,2,4-trimethyl-4-(5-methyl-2-propan-2-ylcyclohexyl)oxycarbonyl-6-(oxan-2-yloxycarbonyl)octanoic acid Traditional Name: 6-chloro-4-(2-isopropyl-5-methyl-cyclohexoxy)carbonyl-2,2,4-trimethyl-6-tetrahydropyran-2-yloxycarbonyl-caprylic acid Formula: C28H47ClO7 MolecularWeight: 531.12158

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)(CC(C)(C)C(=O)O)C(=O)OC1CC(CCC1C(C)C)C)(C(=O)OC2CCCCO2)Cl

Isomeric SMILES

CCC(CC(C)(CC(C)(C)C(=O)O)C(=O)OC1CC(CCC1C(C)C)C)(C(=O)OC2CCCCO2)Cl

InChI

InChI=1S/C28H47ClO7/c1-8-28(29,25(33)36-22-11-9-10-14-34-22)17-27(7,16-26(5,6)23(30)31)24(32)35-21-15-19(4)12-13-20(21)18(2)3/h18-22H,8-17H2,1-7H3,(H,30,31)