23-[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl]pentatetracontanedioic acid

Systemtic Name: 23-[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl]pentatetracontanedioic acid Openeye Name: 23-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]pentatetracontanedioic acid CAS Name: 23-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]pentatetracontanedioic acid IUPAC Name: 23-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]pentatetracontanedioic acid Traditional Name: 23-(3-hydroxy-2,2-dimethylol-propyl)pentatetracontanedioic acid Formula: C50H98O7 MolecularWeight: 811.30892

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCCCCCCCC(CCCCCCCCCCCCCCCCCCCCCC(=O)O)CC(CO)(CO)CO)CCCCCCCCCCC(=O)O

Isomeric SMILES

C(CCCCCCCCCCC(CCCCCCCCCCCCCCCCCCCCCC(=O)O)CC(CO)(CO)CO)CCCCCCCCCCC(=O)O

InChI

InChI=1S/C50H98O7/c51-44-50(45-52,46-53)43-47(39-35-31-27-23-19-15-11-7-3-1-5-9-13-17-21-25-29-33-37-41-48(54)55)40-36-32-28-24-20-16-12-8-4-2-6-10-14-18-22-26-30-34-38-42-49(56)57/h47,51-53H,1-46H2,(H,54,55)(H,56,57)