(4-cyclohexylphenyl) 2-oxidanylidenechromene-6-sulfonate

Systemtic Name: (4-cyclohexylphenyl) 2-oxidanylidenechromene-6-sulfonate Openeye Name: (4-cyclohexylphenyl) 2-oxochromene-6-sulfonate CAS Name: 2-oxo-1-benzopyran-6-sulfonic acid (4-cyclohexylphenyl) ester IUPAC Name: (4-cyclohexylphenyl) 2-oxochromene-6-sulfonate Traditional Name: 2-ketochromene-6-sulfonic acid (4-cyclohexylphenyl) ester Formula: C21H20O5S MolecularWeight: 384.4455

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)OS(=O)(=O)C3=CC4=C(C=C3)OC(=O)C=C4

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)OS(=O)(=O)C3=CC4=C(C=C3)OC(=O)C=C4

InChI

InChI=1S/C21H20O5S/c22-21-13-8-17-14-19(11-12-20(17)25-21)27(23,24)26-18-9-6-16(7-10-18)15-4-2-1-3-5-15/h6-15H,1-5H2