9,10-bis(chloranyl)-12-phosphonooxy-octadecanoic acid

Systemtic Name: 9,10-bis(chloranyl)-12-phosphonooxy-octadecanoic acid Openeye Name: 9,10-dichloro-12-phosphonooxy-octadecanoic acid CAS Name: 9,10-dichloro-12-phosphonooxyoctadecanoic acid IUPAC Name: 9,10-dichloro-12-phosphonooxyoctadecanoic acid Traditional Name: 9,10-dichloro-12-phosphonooxy-stearic acid Formula: C18H35Cl2O6P MolecularWeight: 449.346661

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC(C(CCCCCCCC(=O)O)Cl)Cl)OP(=O)(O)O

Isomeric SMILES

CCCCCCC(CC(C(CCCCCCCC(=O)O)Cl)Cl)OP(=O)(O)O

InChI

InChI=1S/C18H35Cl2O6P/c1-2-3-4-8-11-15(26-27(23,24)25)14-17(20)16(19)12-9-6-5-7-10-13-18(21)22/h15-17H,2-14H2,1H3,(H,21,22)(H2,23,24,25)