sodium 2-[bis(2-methoxyethyl)amino]-5-nitro-benzenesulfonate

Systemtic Name: sodium 2-[bis(2-methoxyethyl)amino]-5-nitro-benzenesulfonate Openeye Name: sodium 2-[bis(2-methoxyethyl)amino]-5-nitro-benzenesulfonate CAS Name: sodium 2-[bis(2-methoxyethyl)amino]-5-nitrobenzenesulfonate IUPAC Name: sodium 2-[bis(2-methoxyethyl)amino]-5-nitrobenzenesulfonate Traditional Name: sodium 2-[bis(2-methoxyethyl)amino]-5-nitro-besylate Formula: C12H17N2NaO7S MolecularWeight: 356.32735

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CCOC)C1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)[O-].[Na+]

Isomeric SMILES

COCCN(CCOC)C1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C12H18N2O7S.Na/c1-20-7-5-13(6-8-21-2)11-4-3-10(14(15)16)9-12(11)22(17,18)19;/h3-4,9H,5-8H2,1-2H3,(H,17,18,19);/q;+1/p-1