(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-(phenylsulfonyl)propanoate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-(phenylsulfonyl)propanoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 3-(benzenesulfonyl)propanoate CAS Name: 3-(benzenesulfonyl)propanoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 3-(benzenesulfonyl)propanoate Traditional Name: 3-besylpropionic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C20H18O6S MolecularWeight: 386.41832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H18O6S/c1-14-7-8-17-15(12-20(22)26-18(17)11-14)13-25-19(21)9-10-27(23,24)16-5-3-2-4-6-16/h2-8,11-12H,9-10,13H2,1H3