3-methyl-15,16,18,20-tetrakis(oxidanyl)tetratetracontan-19-one

Systemtic Name: 3-methyl-15,16,18,20-tetrakis(oxidanyl)tetratetracontan-19-one Openeye Name: 15,16,18,20-tetrahydroxy-3-methyl-tetratetracontan-19-one CAS Name: 15,16,18,20-tetrahydroxy-3-methyl-19-tetratetracontanone IUPAC Name: 15,16,18,20-tetrahydroxy-3-methyltetratetracontan-19-one Traditional Name: 15,16,18,20-tetrahydroxy-3-methyl-tetratetracontan-19-one Formula: C45H90O5 MolecularWeight: 711.1931

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)C(CC(C(CCCCCCCCCCCC(C)CC)O)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)C(CC(C(CCCCCCCCCCCC(C)CC)O)O)O)O

InChI

InChI=1S/C45H90O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-29-32-35-38-42(47)45(50)44(49)39-43(48)41(46)37-34-31-28-26-23-24-27-30-33-36-40(3)5-2/h40-44,46-49H,4-39H2,1-3H3