4-[5-(4-sulfophenyl)-1,3-thiazol-4-yl]benzenesulfonic acid

Systemtic Name: 4-[5-(4-sulfophenyl)-1,3-thiazol-4-yl]benzenesulfonic acid Openeye Name: 4-[5-(4-sulfophenyl)thiazol-4-yl]benzenesulfonic acid CAS Name: 4-[5-(4-sulfophenyl)-4-thiazolyl]benzenesulfonic acid IUPAC Name: 4-[5-(4-sulfophenyl)-1,3-thiazol-4-yl]benzenesulfonic acid Traditional Name: 4-[5-(4-sulfophenyl)thiazol-4-yl]besylic acid Formula: C15H11NO6S3 MolecularWeight: 397.44594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(SC=N2)C3=CC=C(C=C3)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=C(SC=N2)C3=CC=C(C=C3)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C15H11NO6S3/c17-24(18,19)12-5-1-10(2-6-12)14-15(23-9-16-14)11-3-7-13(8-4-11)25(20,21)22/h1-9H,(H,17,18,19)(H,20,21,22)