disodium 3-[2-ethoxycarbonyl-5-(sulfonatomethyl)-1H-indol-3-yl]propanoate

Systemtic Name: disodium 3-[2-ethoxycarbonyl-5-(sulfonatomethyl)-1H-indol-3-yl]propanoate Openeye Name: disodium 3-[2-ethoxycarbonyl-5-(sulfonatomethyl)-1H-indol-3-yl]propanoate CAS Name: disodium 3-[2-ethoxycarbonyl-5-(sulfonatomethyl)-1H-indol-3-yl]propanoate IUPAC Name: disodium 3-[2-ethoxycarbonyl-5-(sulfonatomethyl)-1H-indol-3-yl]propanoate Traditional Name: disodium 3-[2-carbethoxy-5-(sulfonatomethyl)-1H-indol-3-yl]propionate Formula: C15H15NNa2O7S MolecularWeight: 399.32664

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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-].[Na+].[Na+]

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)CS(=O)(=O)[O-])CCC(=O)[O-].[Na+].[Na+]

InChI

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