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

Systemtic Name: (4-butan-2-ylphenyl) 2-oxidanylidenechromene-6-sulfonate Openeye Name: (4-sec-butylphenyl) 2-oxochromene-6-sulfonate CAS Name: 2-oxo-1-benzopyran-6-sulfonic acid (4-butan-2-ylphenyl) ester IUPAC Name: (4-butan-2-ylphenyl) 2-oxochromene-6-sulfonate Traditional Name: 2-ketochromene-6-sulfonic acid (4-sec-butylphenyl) ester Formula: C19H18O5S MolecularWeight: 358.40822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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