(E)-20,21,21-tris(hydroxymethyl)tritetracont-9-enedioic acid

Systemtic Name: (E)-20,21,21-tris(hydroxymethyl)tritetracont-9-enedioic acid Openeye Name: (E)-20,21,21-tris(hydroxymethyl)tritetracont-9-enedioic acid CAS Name: (E)-20,21,21-tris(hydroxymethyl)-9-tritetracontenedioic acid IUPAC Name: (E)-20,21,21-tris(hydroxymethyl)tritetracont-9-enedioic acid Traditional Name: (E)-20,21,21-trimethyloltritetracont-9-enedioic acid Formula: C46H88O7 MolecularWeight: 753.18672

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCCCCCCCC(=O)O)CCCCCCCCCCC(CO)(CO)C(CCCCCCCCCC=CCCCCCCCC(=O)O)CO

Isomeric SMILES

C(CCCCCCCCCCC(=O)O)CCCCCCCCCCC(CO)(CO)C(CCCCCCCCC/C=C/CCCCCCCC(=O)O)CO

InChI

InChI=1S/C46H88O7/c47-40-43(36-32-28-24-20-16-12-8-5-6-10-14-18-22-26-30-34-38-45(52)53)46(41-48,42-49)39-35-31-27-23-19-15-11-7-3-1-2-4-9-13-17-21-25-29-33-37-44(50)51/h6,10,43,47-49H,1-5,7-9,11-42H2,(H,50,51)(H,52,53)/b10-6+