[(2S)-1-chloranyl-3-[4-(2-methoxyethyl)phenoxy]propan-2-yl] octadecanoate

Systemtic Name: [(2S)-1-chloranyl-3-[4-(2-methoxyethyl)phenoxy]propan-2-yl] octadecanoate Openeye Name: [(1S)-1-(chloromethyl)-2-[4-(2-methoxyethyl)phenoxy]ethyl] octadecanoate CAS Name: octadecanoic acid [(2S)-1-chloro-3-[4-(2-methoxyethyl)phenoxy]propan-2-yl] ester IUPAC Name: [(2S)-1-chloro-3-[4-(2-methoxyethyl)phenoxy]propan-2-yl] octadecanoate Traditional Name: stearic acid [(1S)-1-(chloromethyl)-2-[4-(2-methoxyethyl)phenoxy]ethyl] ester Formula: C30H51ClO4 MolecularWeight: 511.17654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(COC1=CC=C(C=C1)CCOC)CCl

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC1=CC=C(C=C1)CCOC)CCl

InChI

InChI=1S/C30H51ClO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-30(32)35-29(25-31)26-34-28-21-19-27(20-22-28)23-24-33-2/h19-22,29H,3-18,23-26H2,1-2H3/t29-/m1/s1