3-[(3,5-dimethoxyphenyl)-(3-sulfopropyl)amino]propane-1-sulfonic acid

Systemtic Name: 3-[(3,5-dimethoxyphenyl)-(3-sulfopropyl)amino]propane-1-sulfonic acid Openeye Name: 3-[3,5-dimethoxy-N-(3-sulfopropyl)anilino]propane-1-sulfonic acid CAS Name: 3-[3,5-dimethoxy-N-(3-sulfopropyl)anilino]-1-propanesulfonic acid IUPAC Name: 3-[3,5-dimethoxy-N-(3-sulfopropyl)anilino]propane-1-sulfonic acid Traditional Name: 3-[3,5-dimethoxy-N-(3-sulfopropyl)anilino]propane-1-sulfonic acid Formula: C14H23NO8S2 MolecularWeight: 397.46432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)N(CCCS(=O)(=O)O)CCCS(=O)(=O)O)OC

Isomeric SMILES

COC1=CC(=CC(=C1)N(CCCS(=O)(=O)O)CCCS(=O)(=O)O)OC

InChI

InChI=1S/C14H23NO8S2/c1-22-13-9-12(10-14(11-13)23-2)15(5-3-7-24(16,17)18)6-4-8-25(19,20)21/h9-11H,3-8H2,1-2H3,(H,16,17,18)(H,19,20,21)