(6-ethyl-4-methyl-2-oxidanylidene-chromen-7-yl) 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate

Systemtic Name: (6-ethyl-4-methyl-2-oxidanylidene-chromen-7-yl) 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate Openeye Name: (6-ethyl-4-methyl-2-oxo-chromen-7-yl) 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonic acid (6-ethyl-4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-ethyl-4-methyl-2-oxochromen-7-yl) 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonic acid (6-ethyl-2-keto-4-methyl-chromen-7-yl) ester Formula: C21H20O7S MolecularWeight: 416.4443

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

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