[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-oxidanylidene-chromen-7-yl] methanesulfonate

Systemtic Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-oxidanylidene-chromen-7-yl] methanesulfonate Openeye Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-oxo-chromen-7-yl] methanesulfonate CAS Name: methanesulfonic acid [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-oxochromen-7-yl] methanesulfonate Traditional Name: methanesulfonic acid [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-keto-chromen-7-yl] ester Formula: C20H18O7S MolecularWeight: 402.41772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCO4)OS(=O)(=O)C

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCO4)OS(=O)(=O)C

InChI

InChI=1S/C20H18O7S/c1-3-12-8-14-18(10-17(12)27-28(2,22)23)26-11-15(20(14)21)13-4-5-16-19(9-13)25-7-6-24-16/h4-5,8-11H,3,6-7H2,1-2H3