hexadecyl phosphate; phosphoric acid

Systemtic Name: hexadecyl phosphate; phosphoric acid Openeye Name: hexadecyl phosphate; phosphoric acid CAS Name: hexadecyl phosphate; phosphoric acid IUPAC Name: hexadecyl phosphate; phosphoric acid Traditional Name: cetyl phosphate; phosphoric acid Formula: C16H36O8P2-2 MolecularWeight: 418.399762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOP(=O)([O-])[O-].OP(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOP(=O)([O-])[O-].OP(=O)(O)O

InChI

InChI=1S/C16H35O4P.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;1-5(2,3)4/h2-16H2,1H3,(H2,17,18,19);(H3,1,2,3,4)/p-2