phosphoric acid; 9-pyridin-3-ylhenicosan-9-ol

Systemtic Name: phosphoric acid; 9-pyridin-3-ylhenicosan-9-ol Openeye Name: phosphoric acid; 9-(3-pyridyl)henicosan-9-ol CAS Name: phosphoric acid; 9-(3-pyridinyl)-9-heneicosanol IUPAC Name: phosphoric acid; 9-pyridin-3-ylhenicosan-9-ol Traditional Name: phosphoric acid; 9-(3-pyridyl)heneicosan-9-ol Formula: C26H50NO5P MolecularWeight: 487.652661

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCCCCCCC)(C1=CN=CC=C1)O.OP(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCC(CCCCCCCC)(C1=CN=CC=C1)O.OP(=O)(O)O

InChI

InChI=1S/C26H47NO.H3O4P/c1-3-5-7-9-11-12-13-14-16-18-22-26(28,25-20-19-23-27-24-25)21-17-15-10-8-6-4-2;1-5(2,3)4/h19-20,23-24,28H,3-18,21-22H2,1-2H3;(H3,1,2,3,4)