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

Systemtic Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxidanylidene-6-propyl-chromen-7-yl] methanesulfonate Openeye Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxo-6-propyl-chromen-7-yl] methanesulfonate CAS Name: methanesulfonic acid [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxo-6-propyl-1-benzopyran-7-yl] ester IUPAC Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxo-6-propylchromen-7-yl] methanesulfonate Traditional Name: methanesulfonic acid [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-2-methyl-6-propyl-chromen-7-yl] ester Formula: C22H22O7S MolecularWeight: 430.47088

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=CC4=C(C=C3)OCCO4)OS(=O)(=O)C

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=CC4=C(C=C3)OCCO4)OS(=O)(=O)C

InChI

InChI=1S/C22H22O7S/c1-4-5-14-10-16-19(12-18(14)29-30(3,24)25)28-13(2)21(22(16)23)15-6-7-17-20(11-15)27-9-8-26-17/h6-7,10-12H,4-5,8-9H2,1-3H3