2-[2-sulfanylidene-5-(2-sulfophenyl)-3H-1,3-oxazol-4-yl]benzenesulfonic acid

Systemtic Name: 2-[2-sulfanylidene-5-(2-sulfophenyl)-3H-1,3-oxazol-4-yl]benzenesulfonic acid Openeye Name: 2-[5-(2-sulfophenyl)-2-thioxo-3H-oxazol-4-yl]benzenesulfonic acid CAS Name: 2-[2-sulfanylidene-5-(2-sulfophenyl)-3H-oxazol-4-yl]benzenesulfonic acid IUPAC Name: 2-[2-sulfanylidene-5-(2-sulfophenyl)-3H-1,3-oxazol-4-yl]benzenesulfonic acid Traditional Name: 2-[5-(2-sulfophenyl)-2-thioxo-4-oxazolin-4-yl]besylic acid Formula: C15H11NO7S3 MolecularWeight: 413.44534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C(OC(=S)N2)C3=CC=CC=C3S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=C(OC(=S)N2)C3=CC=CC=C3S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C15H11NO7S3/c17-25(18,19)11-7-3-1-5-9(11)13-14(23-15(24)16-13)10-6-2-4-8-12(10)26(20,21)22/h1-8H,(H,16,24)(H,17,18,19)(H,20,21,22)