O1-tert-butyl O9-ethyl 2-ethanoyl-2-[(E)-4-methylnon-3-enyl]nonanedioate

Systemtic Name: O1-tert-butyl O9-ethyl 2-ethanoyl-2-[(E)-4-methylnon-3-enyl]nonanedioate Openeye Name: O1-tert-butyl O9-ethyl 2-acetyl-2-[(E)-4-methylnon-3-enyl]nonanedioate CAS Name: 2-acetyl-2-[(E)-4-methylnon-3-enyl]nonanedioic acid O1-tert-butyl ester O9-ethyl ester IUPAC Name: 1-O-tert-butyl 9-O-ethyl 2-acetyl-2-[(E)-4-methylnon-3-enyl]nonanedioate Traditional Name: 2-acetyl-2-[(E)-4-methylnon-3-enyl]azelaic acid O1-tert-butyl ester O9-ethyl ester Formula: C27H48O5 MolecularWeight: 452.66702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=CCCC(CCCCCCC(=O)OCC)(C(=O)C)C(=O)OC(C)(C)C)C

Isomeric SMILES

CCCCC/C(=C/CCC(CCCCCCC(=O)OCC)(C(=O)C)C(=O)OC(C)(C)C)/C

InChI

InChI=1S/C27H48O5/c1-8-10-13-17-22(3)18-16-21-27(23(4)28,25(30)32-26(5,6)7)20-15-12-11-14-19-24(29)31-9-2/h18H,8-17,19-21H2,1-7H3/b22-18+