sodium 3-[(3,5-dimethoxyphenyl)amino]-2-oxidanyl-propane-1-sulfonic acid

Systemtic Name: sodium 3-[(3,5-dimethoxyphenyl)amino]-2-oxidanyl-propane-1-sulfonic acid Openeye Name: sodium 3-(3,5-dimethoxyanilino)-2-hydroxy-propane-1-sulfonic acid CAS Name: sodium 3-(3,5-dimethoxyanilino)-2-hydroxy-1-propanesulfonic acid IUPAC Name: sodium 3-(3,5-dimethoxyanilino)-2-hydroxypropane-1-sulfonic acid Traditional Name: sodium 3-(3,5-dimethoxyanilino)-2-hydroxy-propane-1-sulfonic acid Formula: C11H17NNaO6S+ MolecularWeight: 314.31055

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NCC(CS(=O)(=O)O)O)OC.[Na+]

Isomeric SMILES

COC1=CC(=CC(=C1)NCC(CS(=O)(=O)O)O)OC.[Na+]

InChI

InChI=1S/C11H17NO6S.Na/c1-17-10-3-8(4-11(5-10)18-2)12-6-9(13)7-19(14,15)16;/h3-5,9,12-13H,6-7H2,1-2H3,(H,14,15,16);/q;+1