ethane-1,2-disulfonic acid; 2-(2-octylphenoxy)ethanol

Systemtic Name: ethane-1,2-disulfonic acid; 2-(2-octylphenoxy)ethanol Openeye Name: ethane-1,2-disulfonic acid; 2-(2-octylphenoxy)ethanol CAS Name: ethane-1,2-disulfonic acid; 2-(2-octylphenoxy)ethanol IUPAC Name: ethane-1,2-disulfonic acid; 2-(2-octylphenoxy)ethanol Traditional Name: ethane-1,2-disulfonic acid; 2-(2-octylphenoxy)ethanol Formula: C18H32O8S2 MolecularWeight: 440.57188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=CC=C1OCCO.C(CS(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCC1=CC=CC=C1OCCO.C(CS(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C16H26O2.C2H6O6S2/c1-2-3-4-5-6-7-10-15-11-8-9-12-16(15)18-14-13-17;3-9(4,5)1-2-10(6,7)8/h8-9,11-12,17H,2-7,10,13-14H2,1H3;1-2H2,(H,3,4,5)(H,6,7,8)