1,1,3,3-tetraethyl-2H-isoindole-5-sulfonic acid

Systemtic Name: 1,1,3,3-tetraethyl-2H-isoindole-5-sulfonic acid Openeye Name: 1,1,3,3-tetraethylisoindoline-5-sulfonic acid CAS Name: 1,1,3,3-tetraethyl-2H-isoindole-5-sulfonic acid IUPAC Name: 1,1,3,3-tetraethyl-2H-isoindole-5-sulfonic acid Traditional Name: 1,1,3,3-tetraethylisoindoline-5-sulfonic acid Formula: C16H25NO3S MolecularWeight: 311.4396

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C(C=C(C=C2)S(=O)(=O)O)C(N1)(CC)CC)CC

Isomeric SMILES

CCC1(C2=C(C=C(C=C2)S(=O)(=O)O)C(N1)(CC)CC)CC

InChI

InChI=1S/C16H25NO3S/c1-5-15(6-2)13-10-9-12(21(18,19)20)11-14(13)16(7-3,8-4)17-15/h9-11,17H,5-8H2,1-4H3,(H,18,19,20)