octan-2-yl sulfate; pyridin-1-ium

Systemtic Name: octan-2-yl sulfate; pyridin-1-ium Openeye Name: 1-methylheptyl sulfate; pyridin-1-ium CAS Name: octan-2-yl sulfate; pyridin-1-ium IUPAC Name: octan-2-yl sulfate; pyridin-1-ium Traditional Name: 1-methylheptyl sulfate; pyridin-1-ium Formula: C13H23NO4S MolecularWeight: 289.39102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OS(=O)(=O)[O-].C1=CC=[NH+]C=C1

Isomeric SMILES

CCCCCCC(C)OS(=O)(=O)[O-].C1=CC=[NH+]C=C1

InChI

InChI=1S/C8H18O4S.C5H5N/c1-3-4-5-6-7-8(2)12-13(9,10)11;1-2-4-6-5-3-1/h8H,3-7H2,1-2H3,(H,9,10,11);1-5H