sodium 2-[4-[4-(2-sulfooxyethoxy)phenyl]sulfonylphenoxy]ethyl hydrogen sulfate

Systemtic Name: sodium 2-[4-[4-(2-sulfooxyethoxy)phenyl]sulfonylphenoxy]ethyl hydrogen sulfate Openeye Name: sodium 2-[4-[4-(2-sulfooxyethoxy)phenyl]sulfonylphenoxy]ethyl hydrogen sulfate CAS Name: sodium sulfuric acid 2-[4-[4-(2-sulfooxyethoxy)phenyl]sulfonylphenoxy]ethyl ester IUPAC Name: sodium 2-[4-[4-(2-sulfooxyethoxy)phenyl]sulfonylphenoxy]ethyl hydrogen sulfate Traditional Name: sodium sulfuric acid 2-[4-[4-(2-sulfoxyethoxy)phenyl]sulfonylphenoxy]ethyl ester Formula: C16H18NaO12S3+ MolecularWeight: 521.49169

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCCOS(=O)(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCCOS(=O)(=O)O.[Na+]

Isomeric SMILES

C1=CC(=CC=C1OCCOS(=O)(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCCOS(=O)(=O)O.[Na+]

InChI

InChI=1S/C16H18O12S3.Na/c17-29(18,15-5-1-13(2-6-15)25-9-11-27-30(19,20)21)16-7-3-14(4-8-16)26-10-12-28-31(22,23)24;/h1-8H,9-12H2,(H,19,20,21)(H,22,23,24);/q;+1