3-phenylmethoxypropyl hydrogen sulfate

Systemtic Name: 3-phenylmethoxypropyl hydrogen sulfate Openeye Name: 3-benzyloxypropyl hydrogen sulfate CAS Name: sulfuric acid 3-phenylmethoxypropyl ester IUPAC Name: 3-phenylmethoxypropyl hydrogen sulfate Traditional Name: sulfuric acid 3-benzoxypropyl ester Formula: C10H14O5S MolecularWeight: 246.28016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCCOS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COCCCOS(=O)(=O)O

InChI

InChI=1S/C10H14O5S/c11-16(12,13)15-8-4-7-14-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,11,12,13)