O1-[2,3-bis(oxidanyl)propyl] O4-(5-methyl-2-propan-2-yl-cyclohexyl) (E)-but-2-enedioate

Systemtic Name: O1-[2,3-bis(oxidanyl)propyl] O4-(5-methyl-2-propan-2-yl-cyclohexyl) (E)-but-2-enedioate Openeye Name: O1-(2,3-dihydroxypropyl) O4-(2-isopropyl-5-methyl-cyclohexyl) (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-(2,3-dihydroxypropyl) ester O4-(5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: 1-O-(2,3-dihydroxypropyl) 4-O-(5-methyl-2-propan-2-ylcyclohexyl) (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O1-glyceryl ester O4-(2-isopropyl-5-methyl-cyclohexyl) ester Formula: C17H28O6 MolecularWeight: 328.40062

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C=CC(=O)OCC(CO)O)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)/C=C/C(=O)OCC(CO)O)C(C)C

InChI

InChI=1S/C17H28O6/c1-11(2)14-5-4-12(3)8-15(14)23-17(21)7-6-16(20)22-10-13(19)9-18/h6-7,11-15,18-19H,4-5,8-10H2,1-3H3/b7-6+