2-[2-methyl-3-(4-methylphenyl)sulfonyl-4-oxidanylidene-chromen-7-yl]oxyethanoic acid

Systemtic Name: 2-[2-methyl-3-(4-methylphenyl)sulfonyl-4-oxidanylidene-chromen-7-yl]oxyethanoic acid Openeye Name: 2-[2-methyl-4-oxo-3-(p-tolylsulfonyl)chromen-7-yl]oxyacetic acid CAS Name: 2-[[2-methyl-3-(4-methylphenyl)sulfonyl-4-oxo-1-benzopyran-7-yl]oxy]acetic acid IUPAC Name: 2-[2-methyl-3-(4-methylphenyl)sulfonyl-4-oxochromen-7-yl]oxyacetic acid Traditional Name: 2-(4-keto-2-methyl-3-tosyl-chromen-7-yl)oxyacetic acid Formula: C19H16O7S MolecularWeight: 388.39114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC3=C(C2=O)C=CC(=C3)OCC(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC3=C(C2=O)C=CC(=C3)OCC(=O)O)C

InChI

InChI=1S/C19H16O7S/c1-11-3-6-14(7-4-11)27(23,24)19-12(2)26-16-9-13(25-10-17(20)21)5-8-15(16)18(19)22/h3-9H,10H2,1-2H3,(H,20,21)