formamido-(4-hexoxyphenyl)-sulfonyl-azanium; methylbenzene

Systemtic Name: formamido-(4-hexoxyphenyl)-sulfonyl-azanium; methylbenzene Openeye Name: formamido-(4-hexoxyphenyl)-sulfonyl-ammonium; toluene CAS Name: formamido-(4-hexoxyphenyl)-sulfonylammonium; toluene IUPAC Name: formamido-(4-hexoxyphenyl)-sulfonylazanium; toluene Traditional Name: formamido-(4-hexoxyphenyl)-sulfonyl-ammonium; toluene Formula: C20H27N2O4S+ MolecularWeight: 391.50438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)[N+](=S(=O)=O)NC=O.CC1=CC=CC=C1

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)[N+](=S(=O)=O)NC=O.CC1=CC=CC=C1

InChI

InChI=1S/C13H18N2O4S.C7H8/c1-2-3-4-5-10-19-13-8-6-12(7-9-13)15(14-11-16)20(17)18;1-7-5-3-2-4-6-7/h6-9,11H,2-5,10H2,1H3;2-6H,1H3/p+1