(E)-20,21,21-tris(hydroxymethyl)triacont-9-enedioate

Systemtic Name: (E)-20,21,21-tris(hydroxymethyl)triacont-9-enedioate Openeye Name: (E)-20,21,21-tris(hydroxymethyl)triacont-9-enedioate CAS Name: (E)-20,21,21-tris(hydroxymethyl)-9-triacontenedioate IUPAC Name: (E)-20,21,21-tris(hydroxymethyl)triacont-9-enedioate Traditional Name: (E)-20,21,21-trimethyloltriacont-9-enedioate Formula: C33H60O7-2 MolecularWeight: 568.8253

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCC=CCCCCCCCC(=O)[O-])CCCCC(CO)C(CCCCCCCCC(=O)[O-])(CO)CO

Isomeric SMILES

C(CCCC/C=C/CCCCCCCC(=O)[O-])CCCCC(CO)C(CCCCCCCCC(=O)[O-])(CO)CO

InChI

InChI=1S/C33H62O7/c34-27-30(33(28-35,29-36)26-22-18-14-13-17-21-25-32(39)40)23-19-15-11-9-7-5-3-1-2-4-6-8-10-12-16-20-24-31(37)38/h2,4,30,34-36H,1,3,5-29H2,(H,37,38)(H,39,40)/p-2/b4-2+