(3S,4R,5R)-3-methyl-4-(phenylmethoxymethyl)-5-tridecyl-oxolan-2-one

Systemtic Name: (3S,4R,5R)-3-methyl-4-(phenylmethoxymethyl)-5-tridecyl-oxolan-2-one Openeye Name: (3S,4R,5R)-4-(benzyloxymethyl)-3-methyl-5-tridecyl-tetrahydrofuran-2-one CAS Name: (3S,4R,5R)-3-methyl-4-(phenylmethoxymethyl)-5-tridecyl-2-oxolanone IUPAC Name: (3S,4R,5R)-3-methyl-4-(phenylmethoxymethyl)-5-tridecyloxolan-2-one Traditional Name: (3S,4R,5R)-4-(benzoxymethyl)-3-methyl-5-tridecyl-tetrahydrofuran-2-one Formula: C26H42O3 MolecularWeight: 402.60988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1C(C(C(=O)O1)C)COCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCC[C@@H]1[C@H]([C@@H](C(=O)O1)C)COCC2=CC=CC=C2

InChI

InChI=1S/C26H42O3/c1-3-4-5-6-7-8-9-10-11-12-16-19-25-24(22(2)26(27)29-25)21-28-20-23-17-14-13-15-18-23/h13-15,17-18,22,24-25H,3-12,16,19-21H2,1-2H3/t22-,24-,25+/m0/s1