[(2S)-13-oxidanylidenetridecan-2-yl] pent-4-ynoate

Systemtic Name: [(2S)-13-oxidanylidenetridecan-2-yl] pent-4-ynoate Openeye Name: [(1S)-1-methyl-12-oxo-dodecyl] pent-4-ynoate CAS Name: 4-pentynoic acid [(2S)-13-oxotridecan-2-yl] ester IUPAC Name: [(2S)-13-oxotridecan-2-yl] pent-4-ynoate Traditional Name: pent-4-ynoic acid [(1S)-12-keto-1-methyl-dodecyl] ester Formula: C18H30O3 MolecularWeight: 294.429

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCCCCCC=O)OC(=O)CCC#C

Isomeric SMILES

C[C@@H](CCCCCCCCCCC=O)OC(=O)CCC#C

InChI

InChI=1S/C18H30O3/c1-3-4-15-18(20)21-17(2)14-12-10-8-6-5-7-9-11-13-16-19/h1,16-17H,4-15H2,2H3/t17-/m0/s1