2,2-bis(16-methylheptadecyl)-3-oxidanyl-butanedioate

Systemtic Name: 2,2-bis(16-methylheptadecyl)-3-oxidanyl-butanedioate Openeye Name: 3-hydroxy-2,2-bis(16-methylheptadecyl)butanedioate CAS Name: 3-hydroxy-2,2-bis(16-methylheptadecyl)butanedioate IUPAC Name: 3-hydroxy-2,2-bis(16-methylheptadecyl)butanedioate Traditional Name: 3-hydroxy-2,2-bis(16-methylheptadecyl)succinate Formula: C40H76O5-2 MolecularWeight: 637.02844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC(C)C)(C(C(=O)[O-])O)C(=O)[O-]

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC(C)C)(C(C(=O)[O-])O)C(=O)[O-]

InChI

InChI=1S/C40H78O5/c1-35(2)31-27-23-19-15-11-7-5-9-13-17-21-25-29-33-40(39(44)45,37(41)38(42)43)34-30-26-22-18-14-10-6-8-12-16-20-24-28-32-36(3)4/h35-37,41H,5-34H2,1-4H3,(H,42,43)(H,44,45)/p-2