2-methylbenzenesulfonate; 5-methylphenazin-5-ium

Systemtic Name: 2-methylbenzenesulfonate; 5-methylphenazin-5-ium Openeye Name: 2-methylbenzenesulfonate; 5-methylphenazin-5-ium CAS Name: 2-methylbenzenesulfonate; 5-methylphenazin-5-ium IUPAC Name: 2-methylbenzenesulfonate; 5-methylphenazin-5-ium Traditional Name: 2-methylbesylate; 5-methylphenazin-5-ium Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)[O-].C[N+]1=C2C=CC=CC2=NC3=CC=CC=C31

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)[O-].C[N+]1=C2C=CC=CC2=NC3=CC=CC=C31

InChI

InChI=1S/C13H11N2.C7H8O3S/c1-15-12-8-4-2-6-10(12)14-11-7-3-5-9-13(11)15;1-6-4-2-3-5-7(6)11(8,9)10/h2-9H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1