3-[2-ethoxycarbonyl-7-(sulfomethyl)-1H-indol-3-yl]propanoic acid

Systemtic Name: 3-[2-ethoxycarbonyl-7-(sulfomethyl)-1H-indol-3-yl]propanoic acid Openeye Name: 3-[2-ethoxycarbonyl-7-(sulfomethyl)-1H-indol-3-yl]propanoic acid CAS Name: 3-[2-ethoxycarbonyl-7-(sulfomethyl)-1H-indol-3-yl]propanoic acid IUPAC Name: 3-[2-ethoxycarbonyl-7-(sulfomethyl)-1H-indol-3-yl]propanoic acid Traditional Name: 3-[2-carbethoxy-7-(sulfomethyl)-1H-indol-3-yl]propionic acid Formula: C15H17NO7S MolecularWeight: 355.36298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C(=CC=C2)CS(=O)(=O)O)CCC(=O)O

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C(=CC=C2)CS(=O)(=O)O)CCC(=O)O

InChI

InChI=1S/C15H17NO7S/c1-2-23-15(19)14-11(6-7-12(17)18)10-5-3-4-9(13(10)16-14)8-24(20,21)22/h3-5,16H,2,6-8H2,1H3,(H,17,18)(H,20,21,22)