2-hexadecyl-3-methylidene-butanedioic acid

Systemtic Name: 2-hexadecyl-3-methylidene-butanedioic acid Openeye Name: 2-hexadecyl-3-methylene-butanedioic acid CAS Name: 2-hexadecyl-3-methylenebutanedioic acid IUPAC Name: 2-hexadecyl-3-methylidenebutanedioic acid Traditional Name: 2-cetyl-3-methylene-succinic acid Formula: C21H38O4 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/C21H38O4/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/h19H,2-17H2,1H3,(H,22,23)(H,24,25)