1,3-bis(bromanyl)propane-1,2,3-triol; (E)-octadec-9-enoate

Systemtic Name: 1,3-bis(bromanyl)propane-1,2,3-triol; (E)-octadec-9-enoate Openeye Name: 1,3-dibromopropane-1,2,3-triol; (E)-octadec-9-enoate CAS Name: 1,3-dibromopropane-1,2,3-triol; (E)-9-octadecenoate IUPAC Name: 1,3-dibromopropane-1,2,3-triol; (E)-octadec-9-enoate Traditional Name: 1,3-dibromopropane-1,2,3-triol; (E)-octadec-9-enoate Formula: C21H39Br2O5- MolecularWeight: 531.33936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)[O-].C(C(O)Br)(C(O)Br)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)[O-].C(C(O)Br)(C(O)Br)O

InChI

InChI=1S/C18H34O2.C3H6Br2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;4-2(7)1(6)3(5)8/h9-10H,2-8,11-17H2,1H3,(H,19,20);1-3,6-8H/p-1/b10-9+;