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

Systemtic Name: O1-tert-butyl O4-(phenylmethyl) (2S,3R)-3-hexyl-2-prop-2-enyl-butanedioate Openeye Name: O1-benzyl O4-tert-butyl (2R,3S)-3-allyl-2-hexyl-butanedioate CAS Name: (2S,3R)-3-hexyl-2-prop-2-enylbutanedioic acid O1-tert-butyl ester O4-(phenylmethyl) ester IUPAC Name: 4-O-benzyl 1-O-tert-butyl (2S,3R)-3-hexyl-2-prop-2-enylbutanedioate Traditional Name: (2R,3S)-3-allyl-2-hexyl-succinic acid O1-benzyl ester O4-tert-butyl ester Formula: C24H36O4 MolecularWeight: 388.54024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H36O4/c1-6-8-9-13-17-21(20(14-7-2)23(26)28-24(3,4)5)22(25)27-18-19-15-11-10-12-16-19/h7,10-12,15-16,20-21H,2,6,8-9,13-14,17-18H2,1,3-5H3/t20-,21+/m0/s1