octane-1-sulfonate; 4-(thiolan-1-ium-1-yl)phenol

Systemtic Name: octane-1-sulfonate; 4-(thiolan-1-ium-1-yl)phenol Openeye Name: octane-1-sulfonate; 4-tetrahydrothiophen-1-ium-1-ylphenol CAS Name: 1-octanesulfonate; 4-(1-thiolan-1-iumyl)phenol IUPAC Name: octane-1-sulfonate; 4-(thiolan-1-ium-1-yl)phenol Traditional Name: octane-1-sulfonate; 4-tetrahydrothiophen-1-ium-1-ylphenol Formula: C18H30O4S2 MolecularWeight: 374.5584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)[O-].C1CC[S+](C1)C2=CC=C(C=C2)O

Isomeric SMILES

CCCCCCCCS(=O)(=O)[O-].C1CC[S+](C1)C2=CC=C(C=C2)O

InChI

InChI=1S/C10H12OS.C8H18O3S/c11-9-3-5-10(6-4-9)12-7-1-2-8-12;1-2-3-4-5-6-7-8-12(9,10)11/h3-6H,1-2,7-8H2;2-8H2,1H3,(H,9,10,11)