3-ethoxycarbonyl-5-methoxy-1,2-dimethyl-indole-6-sulfonic acid

Systemtic Name: 3-ethoxycarbonyl-5-methoxy-1,2-dimethyl-indole-6-sulfonic acid Openeye Name: 3-ethoxycarbonyl-5-methoxy-1,2-dimethyl-indole-6-sulfonic acid CAS Name: 3-ethoxycarbonyl-5-methoxy-1,2-dimethyl-6-indolesulfonic acid IUPAC Name: 3-ethoxycarbonyl-5-methoxy-1,2-dimethylindole-6-sulfonic acid Traditional Name: 3-carbethoxy-5-methoxy-1,2-dimethyl-indole-6-sulfonic acid Formula: C14H17NO6S MolecularWeight: 327.35288

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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

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)S(=O)(=O)O)C)C

InChI

InChI=1S/C14H17NO6S/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)