sodium 3-ethoxycarbonyl-5-methoxy-1,2-dimethyl-indole-6-sulfonate

Systemtic Name: sodium 3-ethoxycarbonyl-5-methoxy-1,2-dimethyl-indole-6-sulfonate Openeye Name: sodium 3-ethoxycarbonyl-5-methoxy-1,2-dimethyl-indole-6-sulfonate CAS Name: sodium 3-ethoxycarbonyl-5-methoxy-1,2-dimethyl-6-indolesulfonate IUPAC Name: sodium 3-ethoxycarbonyl-5-methoxy-1,2-dimethylindole-6-sulfonate Traditional Name: sodium 3-carbethoxy-5-methoxy-1,2-dimethyl-indole-6-sulfonate Formula: C14H16NNaO6S MolecularWeight: 349.33471

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)S(=O)(=O)[O-])C)C.[Na+]

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)S(=O)(=O)[O-])C)C.[Na+]

InChI

InChI=1S/C14H17NO6S.Na/c1-5-21-14(16)13-8(2)15(3)10-7-12(22(17,18)19)11(20-4)6-9(10)13;/h6-7H,5H2,1-4H3,(H,17,18,19);/q;+1/p-1