tributyl (E)-2-oxidanyl-4-oxidanylidene-henicos-12-ene-1,2,3-tricarboxylate

Systemtic Name: tributyl (E)-2-oxidanyl-4-oxidanylidene-henicos-12-ene-1,2,3-tricarboxylate Openeye Name: tributyl (E)-2-hydroxy-4-oxo-henicos-12-ene-1,2,3-tricarboxylate CAS Name: (E)-2-hydroxy-4-oxo-12-heneicosene-1,2,3-tricarboxylic acid tributyl ester IUPAC Name: tributyl (E)-2-hydroxy-4-oxohenicos-12-ene-1,2,3-tricarboxylate Traditional Name: (E)-2-hydroxy-4-keto-heneicos-12-ene-1,2,3-tricarboxylic acid tributyl ester Formula: C36H64O8 MolecularWeight: 624.88856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)C(C(=O)OCCCC)C(CC(=O)OCCCC)(C(=O)OCCCC)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)C(C(=O)OCCCC)C(CC(=O)OCCCC)(C(=O)OCCCC)O

InChI

InChI=1S/C36H64O8/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-25-26-31(37)33(34(39)43-28-11-7-3)36(41,35(40)44-29-12-8-4)30-32(38)42-27-10-6-2/h18-19,33,41H,5-17,20-30H2,1-4H3/b19-18+