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

Systemtic Name: dodecanoate; (E)-octadec-9-enoate; propane-1,2,3-triol Openeye Name: dodecanoate; glycerol; (E)-octadec-9-enoate CAS Name: dodecanoate; (E)-9-octadecenoate; propane-1,2,3-triol IUPAC Name: dodecanoate; (E)-octadec-9-enoate; propane-1,2,3-triol Traditional Name: glycerol; laurate; (E)-octadec-9-enoate Formula: C90H216O64-2 MolecularWeight: 2322.63964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)[O-].CCCCCCCCC=CCCCCCCCC(=O)[O-].C(C(CO)O)O.C(C(CO)O)O.C(C(CO)O)O.C(C(CO)O)O.C(C(CO)O)O.C(C(CO)O)O.C(C(CO)O)O.C(C(CO)O)O.C(C(CO)O)O.C(C(CO)O)O.C(C(CO)O)O.C(C(CO)O)O.C(C(CO)O)O.C(C(CO)O)O.C(C(CO)O)O.C(C(CO)O)O.C(C(CO)O)O.C(C(CO)O)O.C(C(CO)O)O.C(C(CO)O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)[O-].CCCCCCCC/C=C/CCCCCCCC(=O)[O-].C(C(CO)O)O.C(C(CO)O)O.C(C(CO)O)O.C(C(CO)O)O.C(C(CO)O)O.C(C(CO)O)O.C(C(CO)O)O.C(C(CO)O)O.C(C(CO)O)O.C(C(CO)O)O.C(C(CO)O)O.C(C(CO)O)O.C(C(CO)O)O.C(C(CO)O)O.C(C(CO)O)O.C(C(CO)O)O.C(C(CO)O)O.C(C(CO)O)O.C(C(CO)O)O.C(C(CO)O)O

InChI

InChI=1S/C18H34O2.C12H24O2.20C3H8O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-5-6-7-8-9-10-11-12(13)14;20*4-1-3(6)2-5/h9-10H,2-8,11-17H2,1H3,(H,19,20);2-11H2,1H3,(H,13,14);20*3-6H,1-2H2/p-2/b10-9+;;;;;;;;;;;;;;;;;;;;;