(2-oxidanylidenechromen-4-yl) 4-butylbenzenesulfonate

Systemtic Name: (2-oxidanylidenechromen-4-yl) 4-butylbenzenesulfonate Openeye Name: (2-oxochromen-4-yl) 4-butylbenzenesulfonate CAS Name: 4-butylbenzenesulfonic acid (2-oxo-1-benzopyran-4-yl) ester IUPAC Name: (2-oxochromen-4-yl) 4-butylbenzenesulfonate Traditional Name: 4-butylbenzenesulfonic acid (2-ketochromen-4-yl) ester Formula: C19H18O5S MolecularWeight: 358.40822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=O)OC3=CC=CC=C32

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=O)OC3=CC=CC=C32

InChI

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