2-hexadecyl-3-methyl-butanedioate

Systemtic Name: 2-hexadecyl-3-methyl-butanedioate Openeye Name: 2-hexadecyl-3-methyl-butanedioate CAS Name: 2-hexadecyl-3-methylbutanedioate IUPAC Name: 2-hexadecyl-3-methylbutanedioate Traditional Name: 2-cetyl-3-methyl-succinate Formula: C21H38O4-2 MolecularWeight: 354.52402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C(C)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C(C)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C21H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21(24)25)18(2)20(22)23/h18-19H,3-17H2,1-2H3,(H,22,23)(H,24,25)/p-2