methanesulfonic acid; 2-piperazin-1-ylcyclohepta-2,4,6-trien-1-one

Systemtic Name: methanesulfonic acid; 2-piperazin-1-ylcyclohepta-2,4,6-trien-1-one Openeye Name: methanesulfonic acid; 2-piperazin-1-ylcyclohepta-2,4,6-trien-1-one CAS Name: methanesulfonic acid; 2-(1-piperazinyl)-1-cyclohepta-2,4,6-trienone IUPAC Name: methanesulfonic acid; 2-piperazin-1-ylcyclohepta-2,4,6-trien-1-one Traditional Name: mesylic acid; 2-piperazinocyclohepta-2,4,6-trien-1-one Formula: C12H18N2O4S MolecularWeight: 286.34732

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1CN(CCN1)C2=CC=CC=CC2=O

Isomeric SMILES

CS(=O)(=O)O.C1CN(CCN1)C2=CC=CC=CC2=O

InChI

InChI=1S/C11H14N2O.CH4O3S/c14-11-5-3-1-2-4-10(11)13-8-6-12-7-9-13;1-5(2,3)4/h1-5,12H,6-9H2;1H3,(H,2,3,4)