sodium 3-phenylmethoxypropyl sulfate

Systemtic Name: sodium 3-phenylmethoxypropyl sulfate Openeye Name: sodium 3-benzyloxypropyl sulfate CAS Name: sodium 3-phenylmethoxypropyl sulfate IUPAC Name: sodium 3-phenylmethoxypropyl sulfate Traditional Name: sodium 3-benzoxypropyl sulfate Formula: C10H13NaO5S MolecularWeight: 268.26199

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCCOS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)COCCCOS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C10H14O5S.Na/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);/q;+1/p-1