O1-[(E)-4-(1-adamantyl)but-3-en-2-yl] O5-methyl 2-ethyl-2,4,4-trimethyl-pentanedioate

Systemtic Name: O1-[(E)-4-(1-adamantyl)but-3-en-2-yl] O5-methyl 2-ethyl-2,4,4-trimethyl-pentanedioate Openeye Name: O1-[(E)-3-(1-adamantyl)-1-methyl-allyl] O5-methyl 2-ethyl-2,4,4-trimethyl-pentanedioate CAS Name: 2-ethyl-2,4,4-trimethylpentanedioic acid O1-[(E)-4-(1-adamantyl)but-3-en-2-yl] ester O5-methyl ester IUPAC Name: 1-O-[(E)-4-(1-adamantyl)but-3-en-2-yl] 5-O-methyl 2-ethyl-2,4,4-trimethylpentanedioate Traditional Name: 2-ethyl-2,4,4-trimethyl-glutaric acid O1-[(E)-3-(1-adamantyl)-1-methyl-allyl] ester O5-methyl ester Formula: C25H40O4 MolecularWeight: 404.5827

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(C)(C)C(=O)OC)C(=O)OC(C)C=CC12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CCC(C)(CC(C)(C)C(=O)OC)C(=O)OC(C)/C=C/C12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C25H40O4/c1-7-24(5,16-23(3,4)21(26)28-6)22(27)29-17(2)8-9-25-13-18-10-19(14-25)12-20(11-18)15-25/h8-9,17-20H,7,10-16H2,1-6H3/b9-8+