octane-1-sulfonate; 1-phenylthiolan-1-ium

Systemtic Name: octane-1-sulfonate; 1-phenylthiolan-1-ium Openeye Name: octane-1-sulfonate; 1-phenyltetrahydrothiophen-1-ium CAS Name: 1-octanesulfonate; 1-phenylthiolan-1-ium IUPAC Name: octane-1-sulfonate; 1-phenylthiolan-1-ium Traditional Name: octane-1-sulfonate; 1-phenyltetrahydrothiophen-1-ium Formula: C18H30O3S2 MolecularWeight: 358.559

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13S.C8H18O3S/c1-2-6-10(7-3-1)11-8-4-5-9-11;1-2-3-4-5-6-7-8-12(9,10)11/h1-3,6-7H,4-5,8-9H2;2-8H2,1H3,(H,9,10,11)/q+1;/p-1