sodium 2-(3-methanoyl-2,5-dimethyl-pyrrol-1-yl)-5-methyl-benzenesulfonate

Systemtic Name: sodium 2-(3-methanoyl-2,5-dimethyl-pyrrol-1-yl)-5-methyl-benzenesulfonate Openeye Name: sodium 2-(3-formyl-2,5-dimethyl-pyrrol-1-yl)-5-methyl-benzenesulfonate CAS Name: sodium 2-(3-formyl-2,5-dimethyl-1-pyrrolyl)-5-methylbenzenesulfonate IUPAC Name: sodium 2-(3-formyl-2,5-dimethylpyrrol-1-yl)-5-methylbenzenesulfonate Traditional Name: sodium 2-(3-formyl-2,5-dimethyl-pyrrol-1-yl)-5-methyl-besylate Formula: C14H14NNaO4S MolecularWeight: 315.32003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=CC(=C2C)C=O)C)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CC(=C2C)C=O)C)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C14H15NO4S.Na/c1-9-4-5-13(14(6-9)20(17,18)19)15-10(2)7-12(8-16)11(15)3;/h4-8H,1-3H3,(H,17,18,19);/q;+1/p-1