4,5,6-tris(oxidanyl)-4-(phenylmethyl)tetracosan-2-one

Systemtic Name: 4,5,6-tris(oxidanyl)-4-(phenylmethyl)tetracosan-2-one Openeye Name: 4-benzyl-4,5,6-trihydroxy-tetracosan-2-one CAS Name: 4,5,6-trihydroxy-4-(phenylmethyl)-2-tetracosanone IUPAC Name: 4-benzyl-4,5,6-trihydroxytetracosan-2-one Traditional Name: 4-benzyl-4,5,6-trihydroxy-tetracosan-2-one Formula: C31H54O4 MolecularWeight: 490.75806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(C(C(CC1=CC=CC=C1)(CC(=O)C)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(C(C(CC1=CC=CC=C1)(CC(=O)C)O)O)O

InChI

InChI=1S/C31H54O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-29(33)30(34)31(35,25-27(2)32)26-28-22-19-18-20-23-28/h18-20,22-23,29-30,33-35H,3-17,21,24-26H2,1-2H3