(3-methyl-5-oxidanyl-phenyl) 7-thiabicyclo[4.1.0]hepta-1(6),2,4-triene-5-sulfonate

Systemtic Name: (3-methyl-5-oxidanyl-phenyl) 7-thiabicyclo[4.1.0]hepta-1(6),2,4-triene-5-sulfonate Openeye Name: (3-hydroxy-5-methyl-phenyl) 7-thiabicyclo[4.1.0]hepta-1(6),2,4-triene-5-sulfonate CAS Name: 7-thiabicyclo[4.1.0]hepta-1(6),2,4-triene-5-sulfonic acid (3-hydroxy-5-methylphenyl) ester IUPAC Name: (3-hydroxy-5-methylphenyl) 7-thiabicyclo[4.1.0]hepta-1(6),2,4-triene-5-sulfonate Traditional Name: 7-thiabicyclo[4.1.0]hepta-1(6),2,4-triene-5-sulfonic acid (3-hydroxy-5-methyl-phenyl) ester Formula: C13H10O4S2 MolecularWeight: 294.3461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC3=C2S3)O

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC3=C2S3)O

InChI

InChI=1S/C13H10O4S2/c1-8-5-9(14)7-10(6-8)17-19(15,16)12-4-2-3-11-13(12)18-11/h2-7,14H,1H3