2-[methyl(2-sulfoethyl)amino]-5-nitro-benzenesulfonic acid

Systemtic Name: 2-[methyl(2-sulfoethyl)amino]-5-nitro-benzenesulfonic acid Openeye Name: 2-[methyl(2-sulfoethyl)amino]-5-nitro-benzenesulfonic acid CAS Name: 2-[methyl(2-sulfoethyl)amino]-5-nitrobenzenesulfonic acid IUPAC Name: 2-[methyl(2-sulfoethyl)amino]-5-nitrobenzenesulfonic acid Traditional Name: 2-[methyl(2-sulfoethyl)amino]-5-nitro-besylic acid Formula: C9H12N2O8S2 MolecularWeight: 340.33018

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCS(=O)(=O)O)C1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

CN(CCS(=O)(=O)O)C1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C9H12N2O8S2/c1-10(4-5-20(14,15)16)8-3-2-7(11(12)13)6-9(8)21(17,18)19/h2-3,6H,4-5H2,1H3,(H,14,15,16)(H,17,18,19)