3-(4-methylphenyl)sulfonyl-2-oxidanylidene-chromene-6-carboxylate

Systemtic Name: 3-(4-methylphenyl)sulfonyl-2-oxidanylidene-chromene-6-carboxylate Openeye Name: 2-oxo-3-(p-tolylsulfonyl)chromene-6-carboxylate CAS Name: 3-(4-methylphenyl)sulfonyl-2-oxo-1-benzopyran-6-carboxylate IUPAC Name: 3-(4-methylphenyl)sulfonyl-2-oxochromene-6-carboxylate Traditional Name: 2-keto-3-tosyl-chromene-6-carboxylate Formula: C17H11O6S- MolecularWeight: 343.33064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(C=CC(=C3)C(=O)[O-])OC2=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(C=CC(=C3)C(=O)[O-])OC2=O

InChI

InChI=1S/C17H12O6S/c1-10-2-5-13(6-3-10)24(21,22)15-9-12-8-11(16(18)19)4-7-14(12)23-17(15)20/h2-9H,1H3,(H,18,19)/p-1