(5-methyl-2-propan-2-yl-phenyl) 2-oxidanylidenechromene-6-sulfonate

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) 2-oxidanylidenechromene-6-sulfonate Openeye Name: (2-isopropyl-5-methyl-phenyl) 2-oxochromene-6-sulfonate CAS Name: 2-oxo-1-benzopyran-6-sulfonic acid (5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (5-methyl-2-propan-2-ylphenyl) 2-oxochromene-6-sulfonate Traditional Name: 2-ketochromene-6-sulfonic acid (2-isopropyl-5-methyl-phenyl) ester Formula: C19H18O5S MolecularWeight: 358.40822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OS(=O)(=O)C2=CC3=C(C=C2)OC(=O)C=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OS(=O)(=O)C2=CC3=C(C=C2)OC(=O)C=C3

InChI

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