ditert-butyl (2S)-2-oxidanyl-2-[(E,2R)-1-oxidanyl-11-oxidanylidene-octadec-3-en-2-yl]butanedioate

Systemtic Name: ditert-butyl (2S)-2-oxidanyl-2-[(E,2R)-1-oxidanyl-11-oxidanylidene-octadec-3-en-2-yl]butanedioate Openeye Name: ditert-butyl (2S)-2-hydroxy-2-[(E,1R)-1-(hydroxymethyl)-10-oxo-heptadec-2-enyl]butanedioate CAS Name: (2S)-2-hydroxy-2-[(E,2R)-1-hydroxy-11-oxooctadec-3-en-2-yl]butanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (2S)-2-hydroxy-2-[(E,2R)-1-hydroxy-11-oxooctadec-3-en-2-yl]butanedioate Traditional Name: (2S)-2-hydroxy-2-[(E,1R)-10-keto-1-methylol-heptadec-2-enyl]succinic acid ditert-butyl ester Formula: C30H54O7 MolecularWeight: 526.74556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)CCCCCCC=CC(CO)C(CC(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)O

Isomeric SMILES

CCCCCCCC(=O)CCCCCC/C=C/[C@H](CO)[C@@](CC(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)O

InChI

InChI=1S/C30H54O7/c1-8-9-10-13-17-20-25(32)21-18-15-12-11-14-16-19-24(23-31)30(35,27(34)37-29(5,6)7)22-26(33)36-28(2,3)4/h16,19,24,31,35H,8-15,17-18,20-23H2,1-7H3/b19-16+/t24-,30+/m1/s1