4-[7-(4-fluorophenyl)-1,3-benzothiazol-2-yl]thiophene-2-sulfonic acid

Systemtic Name: 4-[7-(4-fluorophenyl)-1,3-benzothiazol-2-yl]thiophene-2-sulfonic acid Openeye Name: 4-[7-(4-fluorophenyl)-1,3-benzothiazol-2-yl]thiophene-2-sulfonic acid CAS Name: 4-[7-(4-fluorophenyl)-1,3-benzothiazol-2-yl]-2-thiophenesulfonic acid IUPAC Name: 4-[7-(4-fluorophenyl)-1,3-benzothiazol-2-yl]thiophene-2-sulfonic acid Traditional Name: 4-[7-(4-fluorophenyl)-1,3-benzothiazol-2-yl]thiophene-2-sulfonic acid Formula: C17H10FNO3S3 MolecularWeight: 391.459603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)N=C(S2)C3=CSC(=C3)S(=O)(=O)O)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC(=C2C(=C1)N=C(S2)C3=CSC(=C3)S(=O)(=O)O)C4=CC=C(C=C4)F

InChI

InChI=1S/C17H10FNO3S3/c18-12-6-4-10(5-7-12)13-2-1-3-14-16(13)24-17(19-14)11-8-15(23-9-11)25(20,21)22/h1-9H,(H,20,21,22)