[4-(1,3-dithiolan-2-yl)phenyl] 2-oxidanylidenechromene-6-sulfonate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 2-oxidanylidenechromene-6-sulfonate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 2-oxochromene-6-sulfonate CAS Name: 2-oxo-1-benzopyran-6-sulfonic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 2-oxochromene-6-sulfonate Traditional Name: 2-ketochromene-6-sulfonic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C18H14O5S3 MolecularWeight: 406.49576

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)OS(=O)(=O)C3=CC4=C(C=C3)OC(=O)C=C4

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)OS(=O)(=O)C3=CC4=C(C=C3)OC(=O)C=C4

InChI

InChI=1S/C18H14O5S3/c19-17-8-3-13-11-15(6-7-16(13)22-17)26(20,21)23-14-4-1-12(2-5-14)18-24-9-10-25-18/h1-8,11,18H,9-10H2