2-nonoxysulfonyloxy-1-phenoxy-ethanesulfonic acid

Systemtic Name: 2-nonoxysulfonyloxy-1-phenoxy-ethanesulfonic acid Openeye Name: 2-nonoxysulfonyloxy-1-phenoxy-ethanesulfonic acid CAS Name: 2-nonoxysulfonyloxy-1-phenoxyethanesulfonic acid IUPAC Name: 2-nonoxysulfonyloxy-1-phenoxyethanesulfonic acid Traditional Name: 2-nonoxysulfonyloxy-1-phenoxy-ethanesulfonic acid Formula: C17H28O8S2 MolecularWeight: 424.52942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOS(=O)(=O)OCC(OC1=CC=CC=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCOS(=O)(=O)OCC(OC1=CC=CC=C1)S(=O)(=O)O

InChI

InChI=1S/C17H28O8S2/c1-2-3-4-5-6-7-11-14-23-27(21,22)24-15-17(26(18,19)20)25-16-12-9-8-10-13-16/h8-10,12-13,17H,2-7,11,14-15H2,1H3,(H,18,19,20)