(2-butan-2-ylphenyl) 2-oxidanylidenechromene-6-sulfonate

Systemtic Name: (2-butan-2-ylphenyl) 2-oxidanylidenechromene-6-sulfonate Openeye Name: (2-sec-butylphenyl) 2-oxochromene-6-sulfonate CAS Name: 2-oxo-1-benzopyran-6-sulfonic acid (2-butan-2-ylphenyl) ester IUPAC Name: (2-butan-2-ylphenyl) 2-oxochromene-6-sulfonate Traditional Name: 2-ketochromene-6-sulfonic acid (2-sec-butylphenyl) ester Formula: C19H18O5S MolecularWeight: 358.40822

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OS(=O)(=O)C2=CC3=C(C=C2)OC(=O)C=C3

Isomeric SMILES

CCC(C)C1=CC=CC=C1OS(=O)(=O)C2=CC3=C(C=C2)OC(=O)C=C3

InChI

InChI=1S/C19H18O5S/c1-3-13(2)16-6-4-5-7-18(16)24-25(21,22)15-9-10-17-14(12-15)8-11-19(20)23-17/h4-13H,3H2,1-2H3