2-methylpentan-2-yl 4-(3-methanoyl-5,7,7-trimethyl-1,2,4-trioxepan-3-yl)butanoate

Systemtic Name: 2-methylpentan-2-yl 4-(3-methanoyl-5,7,7-trimethyl-1,2,4-trioxepan-3-yl)butanoate Openeye Name: 1,1-dimethylbutyl 4-(3-formyl-5,7,7-trimethyl-1,2,4-trioxepan-3-yl)butanoate CAS Name: 4-(3-formyl-5,7,7-trimethyl-1,2,4-trioxepan-3-yl)butanoic acid 2-methylpentan-2-yl ester IUPAC Name: 2-methylpentan-2-yl 4-(3-formyl-5,7,7-trimethyl-1,2,4-trioxepan-3-yl)butanoate Traditional Name: 4-(3-formyl-5,7,7-trimethyl-1,2,4-trioxepan-3-yl)butyric acid 1,1-dimethylbutyl ester Formula: C18H32O6 MolecularWeight: 344.44308

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C)OC(=O)CCCC1(OC(CC(OO1)(C)C)C)C=O

Isomeric SMILES

CCCC(C)(C)OC(=O)CCCC1(OC(CC(OO1)(C)C)C)C=O

InChI

InChI=1S/C18H32O6/c1-7-10-16(3,4)22-15(20)9-8-11-18(13-19)21-14(2)12-17(5,6)23-24-18/h13-14H,7-12H2,1-6H3