(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propionic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C23H22O8S MolecularWeight: 458.48098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CCS(=O)(=O)C3=CC4=C(C=C3)OCCO4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CCS(=O)(=O)C3=CC4=C(C=C3)OCCO4)C

InChI

InChI=1S/C23H22O8S/c1-14-3-5-18-16(11-22(25)31-23(18)15(14)2)13-30-21(24)7-10-32(26,27)17-4-6-19-20(12-17)29-9-8-28-19/h3-6,11-12H,7-10,13H2,1-2H3