5,10-diethyl-5,10-dimethyl-7,8-bis(oxidanyl)-7-(1-oxidanyl-2-phenyl-ethyl)tetradecane-6,9-dione

Systemtic Name: 5,10-diethyl-5,10-dimethyl-7,8-bis(oxidanyl)-7-(1-oxidanyl-2-phenyl-ethyl)tetradecane-6,9-dione Openeye Name: 5,10-diethyl-7,8-dihydroxy-7-(1-hydroxy-2-phenyl-ethyl)-5,10-dimethyl-tetradecane-6,9-dione CAS Name: 5,10-diethyl-7,8-dihydroxy-7-(1-hydroxy-2-phenylethyl)-5,10-dimethyltetradecane-6,9-dione IUPAC Name: 5,10-diethyl-7,8-dihydroxy-7-(1-hydroxy-2-phenylethyl)-5,10-dimethyltetradecane-6,9-dione Traditional Name: 5,10-diethyl-7,8-dihydroxy-7-(1-hydroxy-2-phenyl-ethyl)-5,10-dimethyl-tetradecane-6,9-dione Formula: C28H46O5 MolecularWeight: 462.66184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(CC)C(=O)C(C(C(CC1=CC=CC=C1)O)(C(=O)C(C)(CC)CCCC)O)O

Isomeric SMILES

CCCCC(C)(CC)C(=O)C(C(C(CC1=CC=CC=C1)O)(C(=O)C(C)(CC)CCCC)O)O

InChI

InChI=1S/C28H46O5/c1-7-11-18-26(5,9-3)23(30)24(31)28(33,22(29)20-21-16-14-13-15-17-21)25(32)27(6,10-4)19-12-8-2/h13-17,22,24,29,31,33H,7-12,18-20H2,1-6H3