dimethyl (3R,4R)-3-oxidanyl-4-[4-(4-pentylcyclohexyl)phenyl]carbonyloxy-hexanedioate

Systemtic Name: dimethyl (3R,4R)-3-oxidanyl-4-[4-(4-pentylcyclohexyl)phenyl]carbonyloxy-hexanedioate Openeye Name: dimethyl (3R,4R)-3-hydroxy-4-[4-(4-pentylcyclohexyl)benzoyl]oxy-hexanedioate CAS Name: (3R,4R)-3-hydroxy-4-[oxo-[4-(4-pentylcyclohexyl)phenyl]methoxy]hexanedioic acid dimethyl ester IUPAC Name: dimethyl (3R,4R)-3-hydroxy-4-[4-(4-pentylcyclohexyl)benzoyl]oxyhexanedioate Traditional Name: (3R,4R)-3-[4-(4-amylcyclohexyl)benzoyl]oxy-4-hydroxy-adipic acid dimethyl ester Formula: C26H38O7 MolecularWeight: 462.57572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC(CC(=O)OC)C(CC(=O)OC)O

Isomeric SMILES

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)O[C@H](CC(=O)OC)[C@@H](CC(=O)OC)O

InChI

InChI=1S/C26H38O7/c1-4-5-6-7-18-8-10-19(11-9-18)20-12-14-21(15-13-20)26(30)33-23(17-25(29)32-3)22(27)16-24(28)31-2/h12-15,18-19,22-23,27H,4-11,16-17H2,1-3H3/t18?,19?,22-,23-/m1/s1