(4-methoxyphenyl) 5-chloranyl-3-methyl-1-benzothiophene-2-sulfonate

Systemtic Name: (4-methoxyphenyl) 5-chloranyl-3-methyl-1-benzothiophene-2-sulfonate Openeye Name: (4-methoxyphenyl) 5-chloro-3-methyl-benzothiophene-2-sulfonate CAS Name: 5-chloro-3-methyl-1-benzothiophene-2-sulfonic acid (4-methoxyphenyl) ester IUPAC Name: (4-methoxyphenyl) 5-chloro-3-methyl-1-benzothiophene-2-sulfonate Traditional Name: 5-chloro-3-methyl-benzothiophene-2-sulfonic acid (4-methoxyphenyl) ester Formula: C16H13ClO4S2 MolecularWeight: 368.85502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)OC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)OC3=CC=C(C=C3)OC

InChI

InChI=1S/C16H13ClO4S2/c1-10-14-9-11(17)3-8-15(14)22-16(10)23(18,19)21-13-6-4-12(20-2)5-7-13/h3-9H,1-2H3