sodium 4-[2-(4-methyl-2-oxidanylidene-chromen-6-yl)oxyethanoylamino]benzenesulfonate

Systemtic Name: sodium 4-[2-(4-methyl-2-oxidanylidene-chromen-6-yl)oxyethanoylamino]benzenesulfonate Openeye Name: sodium 4-[[2-(4-methyl-2-oxo-chromen-6-yl)oxyacetyl]amino]benzenesulfonate CAS Name: sodium 4-[[2-[(4-methyl-2-oxo-1-benzopyran-6-yl)oxy]-1-oxoethyl]amino]benzenesulfonate IUPAC Name: sodium 4-[[2-(4-methyl-2-oxochromen-6-yl)oxyacetyl]amino]benzenesulfonate Traditional Name: sodium 4-[[2-(2-keto-4-methyl-chromen-6-yl)oxyacetyl]amino]besylate Formula: C18H14NNaO7S MolecularWeight: 411.36103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=C(C=C2)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC(=O)OC2=C1C=C(C=C2)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H15NO7S.Na/c1-11-8-18(21)26-16-7-4-13(9-15(11)16)25-10-17(20)19-12-2-5-14(6-3-12)27(22,23)24;/h2-9H,10H2,1H3,(H,19,20)(H,22,23,24);/q;+1/p-1