2-octoxysulfonyloxy-1-phenoxy-ethanesulfonic acid

Systemtic Name: 2-octoxysulfonyloxy-1-phenoxy-ethanesulfonic acid Openeye Name: 2-octoxysulfonyloxy-1-phenoxy-ethanesulfonic acid CAS Name: 2-octoxysulfonyloxy-1-phenoxyethanesulfonic acid IUPAC Name: 2-octoxysulfonyloxy-1-phenoxyethanesulfonic acid Traditional Name: 2-octoxysulfonyloxy-1-phenoxy-ethanesulfonic acid Formula: C16H26O8S2 MolecularWeight: 410.50284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26O8S2/c1-2-3-4-5-6-10-13-22-26(20,21)23-14-16(25(17,18)19)24-15-11-8-7-9-12-15/h7-9,11-12,16H,2-6,10,13-14H2,1H3,(H,17,18,19)