O1-tert-butyl O4-(phenylmethyl) (2S,3R)-3-hexyl-2-(3-oxidanylpropyl)butanedioate

Systemtic Name: O1-tert-butyl O4-(phenylmethyl) (2S,3R)-3-hexyl-2-(3-oxidanylpropyl)butanedioate Openeye Name: O1-benzyl O4-tert-butyl (2R,3S)-2-hexyl-3-(3-hydroxypropyl)butanedioate CAS Name: (2S,3R)-3-hexyl-2-(3-hydroxypropyl)butanedioic acid O1-tert-butyl ester O4-(phenylmethyl) ester IUPAC Name: 4-O-benzyl 1-O-tert-butyl (2S,3R)-3-hexyl-2-(3-hydroxypropyl)butanedioate Traditional Name: (2R,3S)-2-hexyl-3-(3-hydroxypropyl)succinic acid O1-benzyl ester O4-tert-butyl ester Formula: C24H38O5 MolecularWeight: 406.55552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(CCCO)C(=O)OC(C)(C)C)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCC[C@H]([C@H](CCCO)C(=O)OC(C)(C)C)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C24H38O5/c1-5-6-7-11-15-20(22(26)28-18-19-13-9-8-10-14-19)21(16-12-17-25)23(27)29-24(2,3)4/h8-10,13-14,20-21,25H,5-7,11-12,15-18H2,1-4H3/t20-,21+/m1/s1