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

Systemtic Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] methanesulfonate Openeye Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-6-propyl-chromen-7-yl] methanesulfonate CAS Name: methanesulfonic acid [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-6-propyl-1-benzopyran-7-yl] ester IUPAC Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-6-propylchromen-7-yl] methanesulfonate Traditional Name: methanesulfonic acid [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-6-propyl-chromen-7-yl] ester Formula: C21H20O7S MolecularWeight: 416.4443

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCO4)OS(=O)(=O)C

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCO4)OS(=O)(=O)C

InChI

InChI=1S/C21H20O7S/c1-3-4-14-9-15-19(11-18(14)28-29(2,23)24)27-12-16(21(15)22)13-5-6-17-20(10-13)26-8-7-25-17/h5-6,9-12H,3-4,7-8H2,1-2H3