3-[1,1-bis(oxidanyl)-2,2,2-triphenyl-ethyl]-3-oxidanyl-6-pentyl-octane-2,7-dione

Systemtic Name: 3-[1,1-bis(oxidanyl)-2,2,2-triphenyl-ethyl]-3-oxidanyl-6-pentyl-octane-2,7-dione Openeye Name: 3-(1,1-dihydroxy-2,2,2-triphenyl-ethyl)-3-hydroxy-6-pentyl-octane-2,7-dione CAS Name: 3-(1,1-dihydroxy-2,2,2-triphenylethyl)-3-hydroxy-6-pentyloctane-2,7-dione IUPAC Name: 3-(1,1-dihydroxy-2,2,2-triphenylethyl)-3-hydroxy-6-pentyloctane-2,7-dione Traditional Name: 6-amyl-3-(1,1-dihydroxy-2,2,2-triphenyl-ethyl)-3-hydroxy-octane-2,7-dione Formula: C33H40O5 MolecularWeight: 516.6677

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC(C(=O)C)(C(C(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)(O)O)O)C(=O)C

Isomeric SMILES

CCCCCC(CCC(C(=O)C)(C(C(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)(O)O)O)C(=O)C

InChI

InChI=1S/C33H40O5/c1-4-5-9-16-27(25(2)34)23-24-31(36,26(3)35)33(37,38)32(28-17-10-6-11-18-28,29-19-12-7-13-20-29)30-21-14-8-15-22-30/h6-8,10-15,17-22,27,36-38H,4-5,9,16,23-24H2,1-3H3