sodium 5-(4-propan-2-yloxyphenyl)thiophene-2-sulfonate

Systemtic Name: sodium 5-(4-propan-2-yloxyphenyl)thiophene-2-sulfonate Openeye Name: sodium 5-(4-isopropoxyphenyl)thiophene-2-sulfonate CAS Name: sodium 5-(4-propan-2-yloxyphenyl)-2-thiophenesulfonate IUPAC Name: sodium 5-(4-propan-2-yloxyphenyl)thiophene-2-sulfonate Traditional Name: sodium 5-(4-isopropoxyphenyl)thiophene-2-sulfonate Formula: C13H13NaO4S2 MolecularWeight: 320.35969

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C2=CC=C(S2)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C2=CC=C(S2)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C13H14O4S2.Na/c1-9(2)17-11-5-3-10(4-6-11)12-7-8-13(18-12)19(14,15)16;/h3-9H,1-2H3,(H,14,15,16);/q;+1/p-1