13-[3-(hydroxymethyl)-1,4-bis(oxidanyl)butan-2-yl]pentacosane-12,14-dione

Systemtic Name: 13-[3-(hydroxymethyl)-1,4-bis(oxidanyl)butan-2-yl]pentacosane-12,14-dione Openeye Name: 13-[3-hydroxy-1,2-bis(hydroxymethyl)propyl]pentacosane-12,14-dione CAS Name: 13-[1,4-dihydroxy-3-(hydroxymethyl)butan-2-yl]pentacosane-12,14-dione IUPAC Name: 13-[1,4-dihydroxy-3-(hydroxymethyl)butan-2-yl]pentacosane-12,14-dione Traditional Name: 13-(3-hydroxy-1,2-dimethylol-propyl)pentacosane-12,14-dione Formula: C30H58O5 MolecularWeight: 498.77852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C(C(CO)C(CO)CO)C(=O)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(=O)C(C(CO)C(CO)CO)C(=O)CCCCCCCCCCC

InChI

InChI=1S/C30H58O5/c1-3-5-7-9-11-13-15-17-19-21-28(34)30(27(25-33)26(23-31)24-32)29(35)22-20-18-16-14-12-10-8-6-4-2/h26-27,30-33H,3-25H2,1-2H3