methyl (3R,5S,6S)-3,5,7,7-tetramethyl-6-(phenylmethoxymethoxy)octanoate

Systemtic Name: methyl (3R,5S,6S)-3,5,7,7-tetramethyl-6-(phenylmethoxymethoxy)octanoate Openeye Name: methyl (3R,5S,6S)-6-(benzyloxymethoxy)-3,5,7,7-tetramethyl-octanoate CAS Name: (3R,5S,6S)-3,5,7,7-tetramethyl-6-(phenylmethoxymethoxy)octanoic acid methyl ester IUPAC Name: methyl (3R,5S,6S)-3,5,7,7-tetramethyl-6-(phenylmethoxymethoxy)octanoate Traditional Name: (3R,5S,6S)-6-(benzoxymethoxy)-3,5,7,7-tetramethyl-caprylic acid methyl ester Formula: C21H34O4 MolecularWeight: 350.49226

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)C(C(C)(C)C)OCOCC1=CC=CC=C1)CC(=O)OC

Isomeric SMILES

C[C@H](C[C@H](C)[C@@H](C(C)(C)C)OCOCC1=CC=CC=C1)CC(=O)OC

InChI

InChI=1S/C21H34O4/c1-16(13-19(22)23-6)12-17(2)20(21(3,4)5)25-15-24-14-18-10-8-7-9-11-18/h7-11,16-17,20H,12-15H2,1-6H3/t16-,17+,20+/m1/s1